2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine

C16H24ClN — CID 65025552

IUPAC2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC(C)c1ccc(CNC2CCCCC2Cl)cc1
InChIInChI=1S/C16H24ClN/c1-12(2)14-9-7-13(8-10-14)11-18-16-6-4-3-5-15(16)17/h7-10,12,15-16,18H,3-6,11H2,1-2H3
InChIKeyFOWCFEURMCAYIJ-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.45
Rot. Bonds4

About 2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine

2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine (PubChem CID 65025552) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
PubChem CID65025552
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC(C)c1ccc(CNC2CCCCC2Cl)cc1
InChIInChI=1S/C16H24ClN/c1-12(2)14-9-7-13(8-10-14)11-18-16-6-4-3-5-15(16)17/h7-10,12,15-16,18H,3-6,11H2,1-2H3
InChIKeyFOWCFEURMCAYIJ-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79537133
2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65024511
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine (CID 65025552) is 2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine is CC(C)c1ccc(CNC2CCCCC2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is FOWCFEURMCAYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12(2)14-9-7-13(8-10-14)11-18-16-6-4-3-5-15(16)17/h7-10,12,15-16,18H,3-6,11H2,1-2H3.
What are the key properties of 2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65025552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).