N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine

C18H26ClN — CID 63996250

IUPACN-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC2CC(c3cccc(Cl)c3)C2)C(C)C1
InChIInChI=1S/C18H26ClN/c1-12-6-7-18(13(2)8-12)20-17-10-15(11-17)14-4-3-5-16(19)9-14/h3-5,9,12-13,15,17-18,20H,6-8,10-11H2,1-2H3
InChIKeyPWZHCTGSXMCNTK-UHFFFAOYSA-N
MW291.87 g/mol
LogP5.00
Rot. Bonds3

About N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine

N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63996250) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63996250
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC NameN-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC2CC(c3cccc(Cl)c3)C2)C(C)C1
InChIInChI=1S/C18H26ClN/c1-12-6-7-18(13(2)8-12)20-17-10-15(11-17)14-4-3-5-16(19)9-14/h3-5,9,12-13,15,17-18,20H,6-8,10-11H2,1-2H3
InChIKeyPWZHCTGSXMCNTK-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.87
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine
CID 82726554
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63994085
3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one
CID 103711168
N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine
CID 63278373
2-methyl-N-(3-phenylcyclobutyl)cyclohexan-1-amine
CID 43632161
3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954950
N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66161363
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 64501138
2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline
CID 107597455
1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
CID 65103831

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine (CID 63996250) is N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NC2CC(c3cccc(Cl)c3)C2)C(C)C1.
What is the InChIKey of N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is PWZHCTGSXMCNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN/c1-12-6-7-18(13(2)8-12)20-17-10-15(11-17)14-4-3-5-16(19)9-14/h3-5,9,12-13,15,17-18,20H,6-8,10-11H2,1-2H3.
What are the key properties of N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine?
N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 291.87 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)cyclobutyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63996250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).