4-chloro-N-(1-phenylhexyl)pyridin-3-amine

C17H21ClN2 — CID 83166461

IUPAC4-chloro-N-(1-phenylhexyl)pyridin-3-amine
SMILESCCCCCC(Nc1cnccc1Cl)c1ccccc1
InChIInChI=1S/C17H21ClN2/c1-2-3-5-10-16(14-8-6-4-7-9-14)20-17-13-19-12-11-15(17)18/h4,6-9,11-13,16,20H,2-3,5,10H2,1H3
InChIKeyPYHLMJGHEPOUOD-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.47
Rot. Bonds7

About 4-chloro-N-(1-phenylhexyl)pyridin-3-amine

4-chloro-N-(1-phenylhexyl)pyridin-3-amine (PubChem CID 83166461) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylhexyl)pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-(1-phenylhexyl)pyridin-3-amine
PubChem CID83166461
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-chloro-N-(1-phenylhexyl)pyridin-3-amine
SMILESCCCCCC(Nc1cnccc1Cl)c1ccccc1
InChIInChI=1S/C17H21ClN2/c1-2-3-5-10-16(14-8-6-4-7-9-14)20-17-13-19-12-11-15(17)18/h4,6-9,11-13,16,20H,2-3,5,10H2,1H3
InChIKeyPYHLMJGHEPOUOD-UHFFFAOYSA-N
XLogP5.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.47
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

2,5-dichloro-N-(1-phenylhexyl)aniline
CID 63418391
2-chloro-5-methyl-N-(1-phenylhexyl)aniline
CID 107631201
2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
2-methylsulfanyl-N-(1-phenylhexyl)aniline
CID 43780995
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700
N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine
CID 115900456
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
N-(3-chloro-4-pyridinyl)-1-phenylethane-1,2-diamine
CID 79840947
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
N-methoxy-1-phenylhexan-1-amine
CID 82707077
N-pentyl-1-phenyldecan-1-amine
CID 10380274

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylhexyl)pyridin-3-amine?
The IUPAC name of 4-chloro-N-(1-phenylhexyl)pyridin-3-amine (CID 83166461) is 4-chloro-N-(1-phenylhexyl)pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-(1-phenylhexyl)pyridin-3-amine?
The canonical SMILES for 4-chloro-N-(1-phenylhexyl)pyridin-3-amine is CCCCCC(Nc1cnccc1Cl)c1ccccc1.
What is the InChIKey of 4-chloro-N-(1-phenylhexyl)pyridin-3-amine?
The InChIKey is PYHLMJGHEPOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-2-3-5-10-16(14-8-6-4-7-9-14)20-17-13-19-12-11-15(17)18/h4,6-9,11-13,16,20H,2-3,5,10H2,1H3.
What are the key properties of 4-chloro-N-(1-phenylhexyl)pyridin-3-amine?
4-chloro-N-(1-phenylhexyl)pyridin-3-amine has a molecular weight of 288.82 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-phenylhexyl)pyridin-3-amine is sourced from PubChem (CID 83166461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).