2-(3-Chlorophenyl)-2-(1-pyrrolidinyl)ethylamine - CAS 866781-98-8
Catalog: |
BB038022 |
Product Name: |
2-(3-Chlorophenyl)-2-(1-pyrrolidinyl)ethylamine |
CAS: |
866781-98-8 |
Synonyms: |
2-(3-chlorophenyl)-2-(1-pyrrolidinyl)ethanamine; 2-(3-chlorophenyl)-2-pyrrolidin-1-ylethanamine |
IUPAC Name: | 2-(3-chlorophenyl)-2-pyrrolidin-1-ylethanamine |
Description: | 2-(3-Chlorophenyl)-2-(1-pyrrolidinyl)ethylamine (CAS# 866781-98-8) is a useful research chemical. |
Molecular Weight: | 224.73 |
Molecular Formula: | C12H17ClN2 |
Canonical SMILES: | C1CCN(C1)C(CN)C2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C12H17ClN2/c13-11-5-3-4-10(8-11)12(9-14)15-6-1-2-7-15/h3-5,8,12H,1-2,6-7,9,14H2 |
InChI Key: | NFMPRFYCRUFTNS-UHFFFAOYSA-N |
MDL: | MFCD09057606 |
LogP: | 3.07380 |
Publication Number | Title | Priority Date |
EP-1758861-A1 | Dpp-iv inhibitors | 20040305 |
JP-2007526267-A | DPP-IV inhibitor | 20040305 |
KR-20070007816-A | PD-IV inhibitor | 20040305 |
US-2007197522-A1 | Dpp-iv inhibitors | 20040305 |
WO-2005095343-A1 | Dpp-iv inhibitors | 20040305 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.1080262 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.1080262 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Amines and Anilines
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