2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine

C19H22Cl2N2 — CID 68954239

IUPAC2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine
SMILESNCC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2/c20-18-7-6-15(10-19(18)21)17-13-23(12-16(17)8-9-22)11-14-4-2-1-3-5-14/h1-7,10,16-17H,8-9,11-13,22H2/t16-,17+/m1/s1
InChIKeyVPRGYJLRERHDHP-SJORKVTESA-N
MW349.31 g/mol
LogP4.56
Rot. Bonds5

About 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine

2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine (PubChem CID 68954239) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine
PubChem CID68954239
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine
SMILESNCC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2/c20-18-7-6-15(10-19(18)21)17-13-23(12-16(17)8-9-22)11-14-4-2-1-3-5-14/h1-7,10,16-17H,8-9,11-13,22H2/t16-,17+/m1/s1
InChIKeyVPRGYJLRERHDHP-SJORKVTESA-N
XLogP4.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine 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

[(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]methanamine
CID 67233832
2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine
CID 68756665
[(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine
CID 10108566
(3R,4S)-1-benzyl-3-(3,4-difluorophenyl)-4-ethylpyrrolidine
CID 123467525
1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine
CID 131117119
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)-N-(methoxymethyl)pyrrolidine-3-carboxamide
CID 67131465
[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
CID 120759943
1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carbonitrile
CID 4991366
2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine
CID 83920112
[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769822
N-[(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)-N-methylacetamide
CID 58009286

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine (CID 68954239) is 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine is NCC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is VPRGYJLRERHDHP-SJORKVTESA-N. The full InChI is InChI=1S/C19H22Cl2N2/c20-18-7-6-15(10-19(18)21)17-13-23(12-16(17)8-9-22)11-14-4-2-1-3-5-14/h1-7,10,16-17H,8-9,11-13,22H2/t16-,17+/m1/s1.
What are the key properties of 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine?
2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 349.31 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 68954239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).