N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine

C15H22BrN — CID 43080246

IUPACN-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN/c1-11-5-3-4-6-15(11)17-12(2)13-7-9-14(16)10-8-13/h7-12,15,17H,3-6H2,1-2H3
InChIKeyOHVBBSGTEDKYMR-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.68
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine

N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 43080246) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine
PubChem CID43080246
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN/c1-11-5-3-4-6-15(11)17-12(2)13-7-9-14(16)10-8-13/h7-12,15,17H,3-6H2,1-2H3
InChIKeyOHVBBSGTEDKYMR-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 81353352
N-[1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277047
4-[1-[(2-methylcyclohexyl)amino]ethyl]benzonitrile
CID 43194954
N-[(1R)-1-(4-bromophenyl)ethyl]-2-methylthian-3-amine
CID 81353696
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81359045
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine
CID 81354238
cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 95377359
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43194983
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine (CID 43080246) is N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine is CC(NC1CCCCC1C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is OHVBBSGTEDKYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-5-3-4-6-15(11)17-12(2)13-7-9-14(16)10-8-13/h7-12,15,17H,3-6H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine?
N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.68, 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]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43080246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).