1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine

C19H30ClN — CID 63451823

IUPAC1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
SMILESCCCC(NCC1CCC(CC)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H30ClN/c1-3-5-19(17-10-12-18(20)13-11-17)21-14-16-8-6-15(4-2)7-9-16/h10-13,15-16,19,21H,3-9,14H2,1-2H3
InChIKeyIJCLFKYAZIDYBX-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.99
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine

1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine (PubChem CID 63451823) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
PubChem CID63451823
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC Name1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
SMILESCCCC(NCC1CCC(CC)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H30ClN/c1-3-5-19(17-10-12-18(20)13-11-17)21-14-16-8-6-15(4-2)7-9-16/h10-13,15-16,19,21H,3-9,14H2,1-2H3
InChIKeyIJCLFKYAZIDYBX-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107166601
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 63456110
N-[(4-ethylcyclohexyl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 63451652
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131528

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine (CID 63451823) is 1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine is CCCC(NCC1CCC(CC)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine?
The InChIKey is IJCLFKYAZIDYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-3-5-19(17-10-12-18(20)13-11-17)21-14-16-8-6-15(4-2)7-9-16/h10-13,15-16,19,21H,3-9,14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine?
1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.99, 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-[(4-ethylcyclohexyl)methyl]butan-1-amine is sourced from PubChem (CID 63451823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).