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

C18H30ClN — CID 79438605

IUPAC2-(4-chlorophenyl)-N-propylnonan-1-amine
SMILESCCCCCCCC(CNCCC)c1ccc(Cl)cc1
InChIInChI=1S/C18H30ClN/c1-3-5-6-7-8-9-17(15-20-14-4-2)16-10-12-18(19)13-11-16/h10-13,17,20H,3-9,14-15H2,1-2H3
InChIKeyUYKWYHPFQAAMAP-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.78
Rot. Bonds11

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

2-(4-chlorophenyl)-N-propylnonan-1-amine (PubChem CID 79438605) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-propylnonan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-propylnonan-1-amine
PubChem CID79438605
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name2-(4-chlorophenyl)-N-propylnonan-1-amine
SMILESCCCCCCCC(CNCCC)c1ccc(Cl)cc1
InChIInChI=1S/C18H30ClN/c1-3-5-6-7-8-9-17(15-20-14-4-2)16-10-12-18(19)13-11-16/h10-13,17,20H,3-9,14-15H2,1-2H3
InChIKeyUYKWYHPFQAAMAP-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.78
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-propyloctan-1-amine
CID 79437453
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-propylnonan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-propylnonan-1-amine (CID 79438605) is 2-(4-chlorophenyl)-N-propylnonan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-propylnonan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-propylnonan-1-amine is CCCCCCCC(CNCCC)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-propylnonan-1-amine?
The InChIKey is UYKWYHPFQAAMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-3-5-6-7-8-9-17(15-20-14-4-2)16-10-12-18(19)13-11-16/h10-13,17,20H,3-9,14-15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-propylnonan-1-amine?
2-(4-chlorophenyl)-N-propylnonan-1-amine has a molecular weight of 295.90 g/mol, XLogP of 5.78, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-propylnonan-1-amine is sourced from PubChem (CID 79438605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).