N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine

C16H24BrN — CID 64753603

IUPACN-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)c2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrN/c1-11-8-12(2)10-16(9-11)18-13(3)14-4-6-15(17)7-5-14/h4-7,11-13,16,18H,8-10H2,1-3H3
InChIKeyFTRAELBQNCURTP-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.92
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine

N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64753603) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64753603
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)c2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrN/c1-11-8-12(2)10-16(9-11)18-13(3)14-4-6-15(17)7-5-14/h4-7,11-13,16,18H,8-10H2,1-3H3
InChIKeyFTRAELBQNCURTP-UHFFFAOYSA-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-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine
CID 81356335
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 63453740
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile
CID 115906392
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751793

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine (CID 64753603) is N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NC(C)c2ccc(Br)cc2)C1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is FTRAELBQNCURTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-11-8-12(2)10-16(9-11)18-13(3)14-4-6-15(17)7-5-14/h4-7,11-13,16,18H,8-10H2,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
N-[1-(4-bromophenyl)ethyl]-3,5-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-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64753603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).