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

C15H17ClN2 — CID 65485111

IUPAC2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCCCc1ccccc1
InChIInChI=1S/C15H17ClN2/c1-12-9-11-18-15(16)14(12)17-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11,17H,5,8,10H2,1H3
InChIKeyTVUKCWYSBIYVOU-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.09
Rot. Bonds5

About 2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine

2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine (PubChem CID 65485111) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
PubChem CID65485111
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCCCc1ccccc1
InChIInChI=1S/C15H17ClN2/c1-12-9-11-18-15(16)14(12)17-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11,17H,5,8,10H2,1H3
InChIKeyTVUKCWYSBIYVOU-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloro-4-methylpyridin-3-amine
CID 65483347
2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine
CID 103088102
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106875522
2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
CID 39356754
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
CID 65483153
6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 63271631
5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 63208283
5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
CID 79557504
2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine
CID 65483739
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
2-N-(2,6-dimethylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112893984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine (CID 65485111) is 2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine is Cc1ccnc(Cl)c1NCCCc1ccccc1.
What is the InChIKey of 2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine?
The InChIKey is TVUKCWYSBIYVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-12-9-11-18-15(16)14(12)17-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11,17H,5,8,10H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine?
2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine has a molecular weight of 260.77 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine is sourced from PubChem (CID 65485111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).