1-(3-chlorophenyl)decan-1-amine

C16H26ClN — CID 63412045

IUPAC1-(3-chlorophenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-2-3-4-5-6-7-8-12-16(18)14-10-9-11-15(17)13-14/h9-11,13,16H,2-8,12,18H2,1H3
InChIKeyBNTQSQZKIBXBIJ-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.48
Rot. Bonds9

About 1-(3-chlorophenyl)decan-1-amine

1-(3-chlorophenyl)decan-1-amine (PubChem CID 63412045) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)decan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)decan-1-amine
PubChem CID63412045
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(3-chlorophenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-2-3-4-5-6-7-8-12-16(18)14-10-9-11-15(17)13-14/h9-11,13,16H,2-8,12,18H2,1H3
InChIKeyBNTQSQZKIBXBIJ-UHFFFAOYSA-N
XLogP5.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.84
LogP ≤ 55.48
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-(3-chlorophenyl)undecan-1-amine
CID 63411961
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101
chloromethane;1-phenyltridecan-1-amine
CID 175245788
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
1-phenyldecan-1-amine
CID 43175860
1-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
1-(3-chlorophenyl)-4-ethylsulfonylbutan-1-amine
CID 65095643
(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
CID 171211984
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
1-amino-2-(3-chlorophenyl)dodecan-3-ol
CID 65428170

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)decan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)decan-1-amine (CID 63412045) is 1-(3-chlorophenyl)decan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)decan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)decan-1-amine is CCCCCCCCCC(N)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)decan-1-amine?
The InChIKey is BNTQSQZKIBXBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-2-3-4-5-6-7-8-12-16(18)14-10-9-11-15(17)13-14/h9-11,13,16H,2-8,12,18H2,1H3.
What are the key properties of 1-(3-chlorophenyl)decan-1-amine?
1-(3-chlorophenyl)decan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)decan-1-amine is sourced from PubChem (CID 63412045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).