1-(3,4-Dimethoxyphenyl)cyclopentanemethanamine - CAS 34975-23-0
Catalog: |
BB022382 |
Product Name: |
1-(3,4-Dimethoxyphenyl)cyclopentanemethanamine |
CAS: |
34975-23-0 |
Synonyms: |
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanamine; [1-(3,4-dimethoxyphenyl)cyclopentyl]methanamine |
IUPAC Name: | [1-(3,4-dimethoxyphenyl)cyclopentyl]methanamine |
Description: | 1-(3,4-Dimethoxyphenyl)cyclopentanemethanamine (CAS# 34975-23-0 ) is a useful research chemical. |
Molecular Weight: | 235.32 |
Molecular Formula: | C14H21NO2 |
Canonical SMILES: | COC1=C(C=C(C=C1)C2(CCCC2)CN)OC |
InChI: | InChI=1S/C14H21NO2/c1-16-12-6-5-11(9-13(12)17-2)14(10-15)7-3-4-8-14/h5-6,9H,3-4,7-8,10,15H2,1-2H3 |
InChI Key: | ZONLSJZRWVUEKE-UHFFFAOYSA-N |
LogP: | 3.17460 |
Publication Number | Title | Priority Date |
EP-1682127-A1 | Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters | 20031114 |
EP-1682127-B1 | Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters | 20031114 |
EP-2140865-A1 | Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters | 20031114 |
US-2005130970-A1 | Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters | 20031114 |
US-2009018140-A1 | Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters | 20031114 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.157228913 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.157228913 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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