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

C16H24ClN — CID 81377645

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N[C@H](C)c2ccccc2Cl)CC1C
InChIInChI=1S/C16H24ClN/c1-11-8-9-14(10-12(11)2)18-13(3)15-6-4-5-7-16(15)17/h4-7,11-14,18H,8-10H2,1-3H3/t11?,12?,13-,14?/m1/s1
InChIKeySGBIAWFRWYCBAH-WCFLAILDSA-N
MW265.83 g/mol
LogP4.82
Rot. Bonds3

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

N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 81377645) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID81377645
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N[C@H](C)c2ccccc2Cl)CC1C
InChIInChI=1S/C16H24ClN/c1-11-8-9-14(10-12(11)2)18-13(3)15-6-4-5-7-16(15)17/h4-7,11-14,18H,8-10H2,1-3H3/t11?,12?,13-,14?/m1/s1
InChIKeySGBIAWFRWYCBAH-WCFLAILDSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81378163
1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
CID 81377651
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711361
N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43081366
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine
CID 81377862
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 43079434
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
N-[1-(2-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981846
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine (CID 81377645) is N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(N[C@H](C)c2ccccc2Cl)CC1C.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is SGBIAWFRWYCBAH-WCFLAILDSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11-8-9-14(10-12(11)2)18-13(3)15-6-4-5-7-16(15)17/h4-7,11-14,18H,8-10H2,1-3H3/t11?,12?,13-,14?/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81377645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).