N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine

C16H24ClN — CID 81352952

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-12(13-7-9-14(17)10-8-13)18-15-6-4-5-11-16(15,2)3/h7-10,12,15,18H,4-6,11H2,1-3H3/t12-,15?/m0/s1
InChIKeyYRODTOMNIAZILA-SFVWDYPZSA-N
MW265.83 g/mol
LogP4.96
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 81352952) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID81352952
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-12(13-7-9-14(17)10-8-13)18-15-6-4-5-11-16(15,2)3/h7-10,12,15,18H,4-6,11H2,1-3H3/t12-,15?/m0/s1
InChIKeyYRODTOMNIAZILA-SFVWDYPZSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81354568
2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
CID 79861249
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978841
2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine
CID 79862070
2,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402338
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861502
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
CID 79861209
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81352114
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81352447

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine (CID 81352952) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine is C[C@H](NC1CCCCC1(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is YRODTOMNIAZILA-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12(13-7-9-14(17)10-8-13)18-15-6-4-5-11-16(15,2)3/h7-10,12,15,18H,4-6,11H2,1-3H3/t12-,15?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81352952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).