1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine

C16H19ClN2 — CID 43204940

IUPAC1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
SMILESCCCC(NCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-2-4-16(14-6-8-15(17)9-7-14)19-12-13-5-3-10-18-11-13/h3,5-11,16,19H,2,4,12H2,1H3
InChIKeyZBKVAIVWDSRVPR-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.37
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine

1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine (PubChem CID 43204940) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
PubChem CID43204940
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
SMILESCCCC(NCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-2-4-16(14-6-8-15(17)9-7-14)19-12-13-5-3-10-18-11-13/h3,5-11,16,19H,2,4,12H2,1H3
InChIKeyZBKVAIVWDSRVPR-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea
CID 30259728
1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine
CID 62992019
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine
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1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine
CID 63450778
1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75514588
(1S)-1-(4-chlorophenyl)-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 96563278
(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 97096345
N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine
CID 107587805
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine (CID 43204940) is 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine is CCCC(NCc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine?
The InChIKey is ZBKVAIVWDSRVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-4-16(14-6-8-15(17)9-7-14)19-12-13-5-3-10-18-11-13/h3,5-11,16,19H,2,4,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine?
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine has a molecular weight of 274.80 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 43204940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).