(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

C14H17ClN2 — CID 81372404

IUPAC(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESC[C@H](NCc1cccn1C)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2/c1-11(12-5-3-6-13(15)9-12)16-10-14-7-4-8-17(14)2/h3-9,11,16H,10H2,1-2H3/t11-/m0/s1
InChIKeyGUUGCTOOKUAEIC-NSHDSACASA-N
MW248.76 g/mol
LogP3.53
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (PubChem CID 81372404) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
PubChem CID81372404
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESC[C@H](NCc1cccn1C)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2/c1-11(12-5-3-6-13(15)9-12)16-10-14-7-4-8-17(14)2/h3-9,11,16H,10H2,1-2H3/t11-/m0/s1
InChIKeyGUUGCTOOKUAEIC-NSHDSACASA-N
XLogP3.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]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

1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 46398344
1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 46398470
(1R)-1-(3-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 25264906
N-[(1-methylpyrrol-2-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 62131512
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 97075751
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
(1S)-1-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 129367476
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (CID 81372404) is (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is C[C@H](NCc1cccn1C)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is GUUGCTOOKUAEIC-NSHDSACASA-N. The full InChI is InChI=1S/C14H17ClN2/c1-11(12-5-3-6-13(15)9-12)16-10-14-7-4-8-17(14)2/h3-9,11,16H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 248.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81372404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).