N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine

C19H23ClN2 — CID 78849601

IUPACN-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
SMILESClc1cccc(CNC(CN2CCCC2)c2ccccc2)c1
InChIInChI=1S/C19H23ClN2/c20-18-10-6-7-16(13-18)14-21-19(15-22-11-4-5-12-22)17-8-2-1-3-9-17/h1-3,6-10,13,19,21H,4-5,11-12,14-15H2
InChIKeyUNTWQSPIJJFQOV-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.27
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine

N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine (PubChem CID 78849601) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
PubChem CID78849601
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC NameN-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
SMILESClc1cccc(CNC(CN2CCCC2)c2ccccc2)c1
InChIInChI=1S/C19H23ClN2/c20-18-10-6-7-16(13-18)14-21-19(15-22-11-4-5-12-22)17-8-2-1-3-9-17/h1-3,6-10,13,19,21H,4-5,11-12,14-15H2
InChIKeyUNTWQSPIJJFQOV-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849604
(1S)-N-[(3,4-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265451
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine
CID 91802765
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 115526298
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137
(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 94613388
N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 61019279
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine (CID 78849601) is N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine is Clc1cccc(CNC(CN2CCCC2)c2ccccc2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is UNTWQSPIJJFQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c20-18-10-6-7-16(13-18)14-21-19(15-22-11-4-5-12-22)17-8-2-1-3-9-17/h1-3,6-10,13,19,21H,4-5,11-12,14-15H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine?
N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 314.86 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 78849601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).