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

C14H22ClN — CID 43488947

IUPAC1-(4-chlorophenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-3-5-6-7-14(16-4-2)12-8-10-13(15)11-9-12/h8-11,14,16H,3-7H2,1-2H3
InChIKeyLNCZHGGRRRYTAH-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.57
Rot. Bonds7

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

1-(4-chlorophenyl)-N-ethylhexan-1-amine (PubChem CID 43488947) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethylhexan-1-amine
PubChem CID43488947
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(4-chlorophenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-3-5-6-7-14(16-4-2)12-8-10-13(15)11-9-12/h8-11,14,16H,3-7H2,1-2H3
InChIKeyLNCZHGGRRRYTAH-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.57
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-propyloctan-1-amine
CID 43494757
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
4-[1-(ethylamino)heptyl]-N,N-dimethylaniline
CID 105126485
N-ethyl-1-(4-methylsulfanylphenyl)heptan-1-amine
CID 115833600
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279
1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 55186414
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
1-(3-bromo-4-fluorophenyl)-N-ethylheptan-1-amine
CID 82810387
1-(3-bromo-4-chlorophenyl)-N-ethyloctan-1-amine
CID 115567420
1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethylhexan-1-amine (CID 43488947) is 1-(4-chlorophenyl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethylhexan-1-amine is CCCCCC(NCC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethylhexan-1-amine?
The InChIKey is LNCZHGGRRRYTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-3-5-6-7-14(16-4-2)12-8-10-13(15)11-9-12/h8-11,14,16H,3-7H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethylhexan-1-amine?
1-(4-chlorophenyl)-N-ethylhexan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethylhexan-1-amine is sourced from PubChem (CID 43488947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).