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

C17H28ClN — CID 43494757

IUPAC1-(4-chlorophenyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-3-5-6-7-8-9-17(19-14-4-2)15-10-12-16(18)13-11-15/h10-13,17,19H,3-9,14H2,1-2H3
InChIKeyWZUMIAIHMCXNSE-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.74
Rot. Bonds10

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

1-(4-chlorophenyl)-N-propyloctan-1-amine (PubChem CID 43494757) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-propyloctan-1-amine
PubChem CID43494757
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name1-(4-chlorophenyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-3-5-6-7-8-9-17(19-14-4-2)15-10-12-16(18)13-11-15/h10-13,17,19H,3-9,14H2,1-2H3
InChIKeyWZUMIAIHMCXNSE-UHFFFAOYSA-N
XLogP5.74
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 ≤ 55.74
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-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine
CID 103214904
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
CID 115837166
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
N-pentyl-1-phenyldecan-1-amine
CID 10380274

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-propyloctan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-propyloctan-1-amine (CID 43494757) is 1-(4-chlorophenyl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-propyloctan-1-amine?
The InChIKey is WZUMIAIHMCXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-3-5-6-7-8-9-17(19-14-4-2)15-10-12-16(18)13-11-15/h10-13,17,19H,3-9,14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-propyloctan-1-amine?
1-(4-chlorophenyl)-N-propyloctan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-propyloctan-1-amine is sourced from PubChem (CID 43494757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).