[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone

C16H21ClN2O — CID 120806411

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
SMILESCC1(CN)CCN(C(=O)C2CC2c2cccc(Cl)c2)C1
InChIInChI=1S/C16H21ClN2O/c1-16(9-18)5-6-19(10-16)15(20)14-8-13(14)11-3-2-4-12(17)7-11/h2-4,7,13-14H,5-6,8-10,18H2,1H3
InChIKeyNXFYGPFQMBINRI-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.64
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone (PubChem CID 120806411) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
PubChem CID120806411
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
SMILESCC1(CN)CCN(C(=O)C2CC2c2cccc(Cl)c2)C1
InChIInChI=1S/C16H21ClN2O/c1-16(9-18)5-6-19(10-16)15(20)14-8-13(14)11-3-2-4-12(17)7-11/h2-4,7,13-14H,5-6,8-10,18H2,1H3
InChIKeyNXFYGPFQMBINRI-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]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

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 120806325
2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid
CID 129008183
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-chloro-6-fluorophenyl)cyclopropyl]methanone
CID 120803863
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 120805419
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 120803979
[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779940
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3-chlorophenoxy)ethanone;hydrochloride
CID 120805062
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclohexyl]methanone
CID 120804905
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
CID 120807217
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone;hydrochloride
CID 120808622

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone (CID 120806411) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone is CC1(CN)CCN(C(=O)C2CC2c2cccc(Cl)c2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone?
The InChIKey is NXFYGPFQMBINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-16(9-18)5-6-19(10-16)15(20)14-8-13(14)11-3-2-4-12(17)7-11/h2-4,7,13-14H,5-6,8-10,18H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone has a molecular weight of 292.81 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 120806411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).