2-(4-chlorophenyl)-N-propyloctan-1-amine

C17H28ClN — CID 79437453

IUPAC2-(4-chlorophenyl)-N-propyloctan-1-amine
SMILESCCCCCCC(CNCCC)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-3-5-6-7-8-16(14-19-13-4-2)15-9-11-17(18)12-10-15/h9-12,16,19H,3-8,13-14H2,1-2H3
InChIKeyHEHLNBGEESANEJ-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.39
Rot. Bonds10

About 2-(4-chlorophenyl)-N-propyloctan-1-amine

2-(4-chlorophenyl)-N-propyloctan-1-amine (PubChem CID 79437453) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-propyloctan-1-amine
PubChem CID79437453
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name2-(4-chlorophenyl)-N-propyloctan-1-amine
SMILESCCCCCCC(CNCCC)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-3-5-6-7-8-16(14-19-13-4-2)15-9-11-17(18)12-10-15/h9-12,16,19H,3-8,13-14H2,1-2H3
InChIKeyHEHLNBGEESANEJ-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.39
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

2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
2-phenyl-N-propylnonan-1-amine
CID 65429485
2-(4-chlorophenyl)-N-propan-2-yloctan-1-amine
CID 79438008
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
2-(4-chlorophenyl)undecan-1-ol
CID 79437648
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
2-(4-chlorophenyl)-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617850
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79432124
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
2-(2-phenylnonylamino)ethanol
CID 142077190

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-propyloctan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-propyloctan-1-amine (CID 79437453) is 2-(4-chlorophenyl)-N-propyloctan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-propyloctan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-propyloctan-1-amine is CCCCCCC(CNCCC)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-propyloctan-1-amine?
The InChIKey is HEHLNBGEESANEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-3-5-6-7-8-16(14-19-13-4-2)15-9-11-17(18)12-10-15/h9-12,16,19H,3-8,13-14H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-propyloctan-1-amine?
2-(4-chlorophenyl)-N-propyloctan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.39, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-propyloctan-1-amine is sourced from PubChem (CID 79437453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).