(3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone

C19H22N2O — CID 119806935

IUPAC(3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone
SMILESCC1C(Cc2ccccc2)CCN1C(=O)c1cccc(N)c1
InChIInChI=1S/C19H22N2O/c1-14-16(12-15-6-3-2-4-7-15)10-11-21(14)19(22)17-8-5-9-18(20)13-17/h2-9,13-14,16H,10-12,20H2,1H3
InChIKeyNALMWKRLYKNCLX-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.36
Rot. Bonds3

About (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone

(3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone (PubChem CID 119806935) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone
PubChem CID119806935
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone
SMILESCC1C(Cc2ccccc2)CCN1C(=O)c1cccc(N)c1
InChIInChI=1S/C19H22N2O/c1-14-16(12-15-6-3-2-4-7-15)10-11-21(14)19(22)17-8-5-9-18(20)13-17/h2-9,13-14,16H,10-12,20H2,1H3
InChIKeyNALMWKRLYKNCLX-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone 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

(2S)-2-amino-1-[(2R,3S)-3-benzyl-2-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 125134108
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
2-amino-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991565
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3-benzyl-2-methylpyrrolidin-1-yl)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone
CID 154867595
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(3-aminophenyl)methanone
CID 54906161
(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103814619
(3-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875254
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
(3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride
CID 119721797
(3-aminophenyl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 124612184

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone (CID 119806935) is (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone is CC1C(Cc2ccccc2)CCN1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone?
The InChIKey is NALMWKRLYKNCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-16(12-15-6-3-2-4-7-15)10-11-21(14)19(22)17-8-5-9-18(20)13-17/h2-9,13-14,16H,10-12,20H2,1H3.
What are the key properties of (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone?
(3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 119806935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).