3-chloro-N-(3-phenylpropyl)pyridin-4-amine

C14H15ClN2 — CID 79770520

IUPAC3-chloro-N-(3-phenylpropyl)pyridin-4-amine
SMILESClc1cnccc1NCCCc1ccccc1
InChIInChI=1S/C14H15ClN2/c15-13-11-16-10-8-14(13)17-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,17)
InChIKeyLKQXVNDODXJDLA-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.78
Rot. Bonds5

About 3-chloro-N-(3-phenylpropyl)pyridin-4-amine

3-chloro-N-(3-phenylpropyl)pyridin-4-amine (PubChem CID 79770520) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-chloro-N-(3-phenylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(3-phenylpropyl)pyridin-4-amine
PubChem CID79770520
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name3-chloro-N-(3-phenylpropyl)pyridin-4-amine
SMILESClc1cnccc1NCCCc1ccccc1
InChIInChI=1S/C14H15ClN2/c15-13-11-16-10-8-14(13)17-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,17)
InChIKeyLKQXVNDODXJDLA-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3-phenylpropyl)pyridin-4-amine
CID 104776830
3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
CID 133346675
2-chloro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54944572
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
8-N-(3-phenylpropyl)isoquinoline-5,8-diamine
CID 103137417
3-chloro-N-hex-5-ynylpyridin-4-amine
CID 103757339
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060
3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine
CID 106306323
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
CID 11608477
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-phenylpropyl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(3-phenylpropyl)pyridin-4-amine (CID 79770520) is 3-chloro-N-(3-phenylpropyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(3-phenylpropyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(3-phenylpropyl)pyridin-4-amine is Clc1cnccc1NCCCc1ccccc1.
What is the InChIKey of 3-chloro-N-(3-phenylpropyl)pyridin-4-amine?
The InChIKey is LKQXVNDODXJDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-13-11-16-10-8-14(13)17-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,17).
What are the key properties of 3-chloro-N-(3-phenylpropyl)pyridin-4-amine?
3-chloro-N-(3-phenylpropyl)pyridin-4-amine has a molecular weight of 246.74 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-phenylpropyl)pyridin-4-amine is sourced from PubChem (CID 79770520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).