1-(3-chlorophenyl)undecan-1-amine

C17H28ClN — CID 63411961

IUPAC1-(3-chlorophenyl)undecan-1-amine
SMILESCCCCCCCCCCC(N)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClN/c1-2-3-4-5-6-7-8-9-13-17(19)15-11-10-12-16(18)14-15/h10-12,14,17H,2-9,13,19H2,1H3
InChIKeyJNHZLQVHEYLOPB-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.87
Rot. Bonds10

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

1-(3-chlorophenyl)undecan-1-amine (PubChem CID 63411961) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)undecan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)undecan-1-amine
PubChem CID63411961
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name1-(3-chlorophenyl)undecan-1-amine
SMILESCCCCCCCCCCC(N)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClN/c1-2-3-4-5-6-7-8-9-13-17(19)15-11-10-12-16(18)14-15/h10-12,14,17H,2-9,13,19H2,1H3
InChIKeyJNHZLQVHEYLOPB-UHFFFAOYSA-N
XLogP5.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.87
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)decan-1-amine
CID 63412045
(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)undecan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)undecan-1-amine (CID 63411961) is 1-(3-chlorophenyl)undecan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)undecan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)undecan-1-amine is CCCCCCCCCCC(N)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)undecan-1-amine?
The InChIKey is JNHZLQVHEYLOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-2-3-4-5-6-7-8-9-13-17(19)15-11-10-12-16(18)14-15/h10-12,14,17H,2-9,13,19H2,1H3.
What are the key properties of 1-(3-chlorophenyl)undecan-1-amine?
1-(3-chlorophenyl)undecan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)undecan-1-amine is sourced from PubChem (CID 63411961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).