3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine

C18H28ClN — CID 82932711

IUPAC3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C18H28ClN/c1-2-12-20-14-17(16-6-4-3-5-7-16)13-15-8-10-18(19)11-9-15/h8-11,16-17,20H,2-7,12-14H2,1H3
InChIKeyUFXJBIMLINJNRG-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.08
Rot. Bonds7

About 3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine

3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine (PubChem CID 82932711) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
PubChem CID82932711
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC Name3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C18H28ClN/c1-2-12-20-14-17(16-6-4-3-5-7-16)13-15-8-10-18(19)11-9-15/h8-11,16-17,20H,2-7,12-14H2,1H3
InChIKeyUFXJBIMLINJNRG-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.08
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-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 112569956
3-(3-chloro-4-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 103041197
3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 104810963
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 82933866
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194
N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 82933166
N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine
CID 82936979
2-cyclopentyl-N-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 112569760

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine (CID 82932711) is 3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine is CCCNCC(Cc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine?
The InChIKey is UFXJBIMLINJNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-2-12-20-14-17(16-6-4-3-5-7-16)13-15-8-10-18(19)11-9-15/h8-11,16-17,20H,2-7,12-14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine?
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine is sourced from PubChem (CID 82932711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).