[(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine

C19H25N3 — CID 10108566

IUPAC[(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine
SMILESNCc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CN)c1
InChIInChI=1S/C19H25N3/c20-10-16-7-4-8-17(9-16)19-14-22(13-18(19)11-21)12-15-5-2-1-3-6-15/h1-9,18-19H,10-14,20-21H2/t18-,19+/m0/s1
InChIKeyDFCFMBCOBJUBBF-RBUKOAKNSA-N
MW295.43 g/mol
LogP2.32
Rot. Bonds5

About [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine

[(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine (PubChem CID 10108566) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine
PubChem CID10108566
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name[(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine
SMILESNCc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CN)c1
InChIInChI=1S/C19H25N3/c20-10-16-7-4-8-17(9-16)19-14-22(13-18(19)11-21)12-15-5-2-1-3-6-15/h1-9,18-19H,10-14,20-21H2/t18-,19+/m0/s1
InChIKeyDFCFMBCOBJUBBF-RBUKOAKNSA-N
XLogP2.32
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine 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
[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769822
[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
CID 120759943
[(3R,4R)-1-[(4-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760026
[(3R,4R)-1-[(4-iodophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759007
[(3R,4R)-1-[[4-(difluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846619
[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 120759911
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine
CID 68954239
[(3R,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759157
[(3R,4R)-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769264
[(3R,4R)-4-phenyl-1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120769564

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine (CID 10108566) is [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine is NCc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CN)c1.
What is the InChIKey of [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine?
The InChIKey is DFCFMBCOBJUBBF-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H25N3/c20-10-16-7-4-8-17(9-16)19-14-22(13-18(19)11-21)12-15-5-2-1-3-6-15/h1-9,18-19H,10-14,20-21H2/t18-,19+/m0/s1.
What are the key properties of [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine?
[(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine has a molecular weight of 295.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 10108566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).