1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride

C18H31Cl2N3O — CID 120808886

IUPAC1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride
SMILESCCN(CC)C(C(=O)N1CCC(C)(CN)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-4-20(5-2)16(15-9-7-6-8-10-15)17(22)21-12-11-18(3,13-19)14-21;;/h6-10,16H,4-5,11-14,19H2,1-3H3;2*1H
InChIKeyHVDCHPKYCKDBPZ-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.11
Rot. Bonds6

About 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride (PubChem CID 120808886) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride
PubChem CID120808886
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride
SMILESCCN(CC)C(C(=O)N1CCC(C)(CN)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-4-20(5-2)16(15-9-7-6-8-10-15)17(22)21-12-11-18(3,13-19)14-21;;/h6-10,16H,4-5,11-14,19H2,1-3H3;2*1H
InChIKeyHVDCHPKYCKDBPZ-UHFFFAOYSA-N
XLogP3.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride 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-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)butan-1-one;dihydrochloride
CID 120806968
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)butan-1-one
CID 120806969
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-chlorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 120806362
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
CID 120809772
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120772241
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one
CID 120809709
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,5-difluorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 120808146
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one;hydrochloride
CID 120803852
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120809621
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzamide;hydrochloride
CID 120807240
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 120806502
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one;hydrochloride
CID 120808962

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride?
The IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride (CID 120808886) is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride is CCN(CC)C(C(=O)N1CCC(C)(CN)C1)c1ccccc1.Cl.Cl.
What is the InChIKey of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride?
The InChIKey is HVDCHPKYCKDBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-4-20(5-2)16(15-9-7-6-8-10-15)17(22)21-12-11-18(3,13-19)14-21;;/h6-10,16H,4-5,11-14,19H2,1-3H3;2*1H.
What are the key properties of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride?
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride is sourced from PubChem (CID 120808886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).