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

C15H22BrN — CID 43080674

IUPACN-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrN/c1-11-3-9-15(10-4-11)17-12(2)13-5-7-14(16)8-6-13/h5-8,11-12,15,17H,3-4,9-10H2,1-2H3
InChIKeyAURUEIWVSJBVDY-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.68
Rot. Bonds3

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

N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 43080674) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
PubChem CID43080674
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrN/c1-11-3-9-15(10-4-11)17-12(2)13-5-7-14(16)8-6-13/h5-8,11-12,15,17H,3-4,9-10H2,1-2H3
InChIKeyAURUEIWVSJBVDY-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-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64753603
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730386
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81353587
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671
N-[(1S)-1-(4-bromophenyl)ethyl]-4-tert-butylcycloheptan-1-amine
CID 81356835
N-[(1S)-1-(4-bromophenyl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 81354248
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
N-[(1S)-1-(4-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81353913

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine (CID 43080674) is N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine is CC1CCC(NC(C)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is AURUEIWVSJBVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-3-9-15(10-4-11)17-12(2)13-5-7-14(16)8-6-13/h5-8,11-12,15,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine?
N-[1-(4-bromophenyl)ethyl]-4-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]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 43080674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).