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

C16H24ClN — CID 81353525

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
SMILESC[C@@H](NC1CCC(C)(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-12(13-4-6-14(17)7-5-13)18-15-8-10-16(2,3)11-9-15/h4-7,12,15,18H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyTUQFALSBUHOEBI-GFCCVEGCSA-N
MW265.83 g/mol
LogP4.96
Rot. Bonds3

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

N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 81353525) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID81353525
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
SMILESC[C@@H](NC1CCC(C)(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-12(13-4-6-14(17)7-5-13)18-15-8-10-16(2,3)11-9-15/h4-7,12,15,18H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyTUQFALSBUHOEBI-GFCCVEGCSA-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-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978841
4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349448
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[(1S)-1-(4-bromophenyl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 81354248
N-[(1R)-1-(4-chlorophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81352385
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172
N-[1-(4-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981751
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine
CID 81352324
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140
N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560864

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine (CID 81353525) is N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine is C[C@@H](NC1CCC(C)(C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is TUQFALSBUHOEBI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12(13-4-6-14(17)7-5-13)18-15-8-10-16(2,3)11-9-15/h4-7,12,15,18H,8-11H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-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-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81353525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).