1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine

C17H22ClN3 — CID 62644490

IUPAC1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
SMILESCN(CCc1ccncc1)CCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3/c1-21(12-8-14-6-10-20-11-7-14)13-9-17(19)15-2-4-16(18)5-3-15/h2-7,10-11,17H,8-9,12-13,19H2,1H3
InChIKeyKXRVWYTXEBLDHM-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.30
Rot. Bonds7

About 1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine

1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine (PubChem CID 62644490) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
PubChem CID62644490
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
SMILESCN(CCc1ccncc1)CCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3/c1-21(12-8-14-6-10-20-11-7-14)13-9-17(19)15-2-4-16(18)5-3-15/h2-7,10-11,17H,8-9,12-13,19H2,1H3
InChIKeyKXRVWYTXEBLDHM-UHFFFAOYSA-N
XLogP3.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61414808
N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203453
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644732
1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82136106
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine (CID 62644490) is 1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine is CN(CCc1ccncc1)CCC(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The InChIKey is KXRVWYTXEBLDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-21(12-8-14-6-10-20-11-7-14)13-9-17(19)15-2-4-16(18)5-3-15/h2-7,10-11,17H,8-9,12-13,19H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine has a molecular weight of 303.84 g/mol, XLogP of 3.30, 7 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-pyridin-4-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 62644490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).