N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C22H29ClN2O — CID 20766137

IUPACN-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOc1ccc(CN(CCCN2CCCC2)Cc2ccccc2)cc1Cl
InChIInChI=1S/C22H29ClN2O/c1-26-22-11-10-20(16-21(22)23)18-25(17-19-8-3-2-4-9-19)15-7-14-24-12-5-6-13-24/h2-4,8-11,16H,5-7,12-15,17-18H2,1H3
InChIKeyICXVOSJLUDSPIU-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.84
Rot. Bonds9

About N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 20766137) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID20766137
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC NameN-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOc1ccc(CN(CCCN2CCCC2)Cc2ccccc2)cc1Cl
InChIInChI=1S/C22H29ClN2O/c1-26-22-11-10-20(16-21(22)23)18-25(17-19-8-3-2-4-9-19)15-7-14-24-12-5-6-13-24/h2-4,8-11,16H,5-7,12-15,17-18H2,1H3
InChIKeyICXVOSJLUDSPIU-UHFFFAOYSA-N
XLogP4.84
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20766140
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 54462268
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine;ethane
CID 143170220
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 143169976
N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane
CID 143170210
1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
CID 10852867
N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 118585042
2-[carboxymethyl-[(3-chloro-4-methoxyphenyl)methyl]amino]acetic acid
CID 65065887
2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42704417
1-[3-(dibenzylamino)propyl]piperidin-4-amine
CID 18403417
3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54806952

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 20766137) is N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is COc1ccc(CN(CCCN2CCCC2)Cc2ccccc2)cc1Cl.
What is the InChIKey of N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is ICXVOSJLUDSPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O/c1-26-22-11-10-20(16-21(22)23)18-25(17-19-8-3-2-4-9-19)15-7-14-24-12-5-6-13-24/h2-4,8-11,16H,5-7,12-15,17-18H2,1H3.
What are the key properties of N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 372.94 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 20766137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).