1-(3-chloro-2-methylphenyl)decan-1-amine

C17H28ClN — CID 107102158

IUPAC1-(3-chloro-2-methylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cccc(Cl)c1C
InChIInChI=1S/C17H28ClN/c1-3-4-5-6-7-8-9-13-17(19)15-11-10-12-16(18)14(15)2/h10-12,17H,3-9,13,19H2,1-2H3
InChIKeyZJQBYTGLHXNFLI-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.79
Rot. Bonds9

About 1-(3-chloro-2-methylphenyl)decan-1-amine

1-(3-chloro-2-methylphenyl)decan-1-amine (PubChem CID 107102158) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)decan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)decan-1-amine
PubChem CID107102158
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name1-(3-chloro-2-methylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cccc(Cl)c1C
InChIInChI=1S/C17H28ClN/c1-3-4-5-6-7-8-9-13-17(19)15-11-10-12-16(18)14(15)2/h10-12,17H,3-9,13,19H2,1-2H3
InChIKeyZJQBYTGLHXNFLI-UHFFFAOYSA-N
XLogP5.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782
(1R)-1-(2,3-dimethylphenyl)hexan-1-amine
CID 171202560
2-[(1S)-1-aminohexyl]-6-chlorophenol
CID 171224317
1-(3-bromo-2-methylphenyl)octan-1-amine
CID 115832299
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine
CID 107102223
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(2-iodo-3-methylphenyl)octan-1-amine
CID 114030076

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)decan-1-amine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)decan-1-amine (CID 107102158) is 1-(3-chloro-2-methylphenyl)decan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)decan-1-amine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)decan-1-amine is CCCCCCCCCC(N)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)decan-1-amine?
The InChIKey is ZJQBYTGLHXNFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-3-4-5-6-7-8-9-13-17(19)15-11-10-12-16(18)14(15)2/h10-12,17H,3-9,13,19H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)decan-1-amine?
1-(3-chloro-2-methylphenyl)decan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)decan-1-amine is sourced from PubChem (CID 107102158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).