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

C16H24BrN — CID 81378163

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N[C@H](C)c2ccccc2Br)CC1C
InChIInChI=1S/C16H24BrN/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
InChIKeyZUZSVVSGOPSINY-WCFLAILDSA-N
MW310.28 g/mol
LogP4.92
Rot. Bonds3

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

N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 81378163) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID81378163
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N[C@H](C)c2ccccc2Br)CC1C
InChIInChI=1S/C16H24BrN/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
InChIKeyZUZSVVSGOPSINY-WCFLAILDSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81379091
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122278
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054573
N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43680086
N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115704080

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine (CID 81378163) is N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(N[C@H](C)c2ccccc2Br)CC1C.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is ZUZSVVSGOPSINY-WCFLAILDSA-N. The full InChI is InChI=1S/C16H24BrN/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-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.92, 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-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81378163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).