2-(4-chlorophenyl)dodecan-1-amine

C18H30ClN — CID 79441361

IUPAC2-(4-chlorophenyl)dodecan-1-amine
SMILESCCCCCCCCCCC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C18H30ClN/c1-2-3-4-5-6-7-8-9-10-17(15-20)16-11-13-18(19)14-12-16/h11-14,17H,2-10,15,20H2,1H3
InChIKeyVKRXKTXGXOWVIA-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.91
Rot. Bonds11

About 2-(4-chlorophenyl)dodecan-1-amine

2-(4-chlorophenyl)dodecan-1-amine (PubChem CID 79441361) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)dodecan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)dodecan-1-amine
PubChem CID79441361
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name2-(4-chlorophenyl)dodecan-1-amine
SMILESCCCCCCCCCCC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C18H30ClN/c1-2-3-4-5-6-7-8-9-10-17(15-20)16-11-13-18(19)14-12-16/h11-14,17H,2-10,15,20H2,1H3
InChIKeyVKRXKTXGXOWVIA-UHFFFAOYSA-N
XLogP5.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.91
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)undecan-1-ol
CID 79437648
2-phenylundecan-1-amine
CID 57256894
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
4-(4-chlorophenyl)heptan-1-amine
CID 83931131
2-(4-chlorophenyl)-N-propan-2-yloctan-1-amine
CID 79438008
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)dodecan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)dodecan-1-amine (CID 79441361) is 2-(4-chlorophenyl)dodecan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)dodecan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)dodecan-1-amine is CCCCCCCCCCC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)dodecan-1-amine?
The InChIKey is VKRXKTXGXOWVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-2-3-4-5-6-7-8-9-10-17(15-20)16-11-13-18(19)14-12-16/h11-14,17H,2-10,15,20H2,1H3.
What are the key properties of 2-(4-chlorophenyl)dodecan-1-amine?
2-(4-chlorophenyl)dodecan-1-amine has a molecular weight of 295.90 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)dodecan-1-amine is sourced from PubChem (CID 79441361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).