1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C15H24ClN3 — CID 63206890

IUPAC1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCN(CCN1CCCC1)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN3/c1-18(10-11-19-8-2-3-9-19)15(12-17)13-4-6-14(16)7-5-13/h4-7,15H,2-3,8-12,17H2,1H3
InChIKeyKXPUTVBXQUBKPM-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.37
Rot. Bonds6

About 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 63206890) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID63206890
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCN(CCN1CCCC1)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN3/c1-18(10-11-19-8-2-3-9-19)15(12-17)13-4-6-14(16)7-5-13/h4-7,15H,2-3,8-12,17H2,1H3
InChIKeyKXPUTVBXQUBKPM-UHFFFAOYSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine 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-chloro-5-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 114453406
1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 106528656
1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206934
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
1-(2,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206811
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
1-(2-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55161280
2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
CID 53487609
1-(2-ethylphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206559
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206599
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
2-(4-methoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]ethanol
CID 111434925

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 63206890) is 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CN(CCN1CCCC1)C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is KXPUTVBXQUBKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18(10-11-19-8-2-3-9-19)15(12-17)13-4-6-14(16)7-5-13/h4-7,15H,2-3,8-12,17H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 281.83 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63206890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).