N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine

C15H22BrN — CID 43244142

IUPACN-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NC(C)c2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrN/c1-11-5-3-8-15(9-11)17-12(2)13-6-4-7-14(16)10-13/h4,6-7,10-12,15,17H,3,5,8-9H2,1-2H3
InChIKeyURHBBAHEFSPDKA-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.68
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine

N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 43244142) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID43244142
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NC(C)c2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrN/c1-11-5-3-8-15(9-11)17-12(2)13-6-4-7-14(16)10-13/h4,6-7,10-12,15,17H,3,5,8-9H2,1-2H3
InChIKeyURHBBAHEFSPDKA-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-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448653
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
(1S)-1-(3-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81382312
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81381403
N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43426732
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43426724
N-[(1S)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-3-amine
CID 81382661

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine (CID 43244142) is N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine is CC1CCCC(NC(C)c2cccc(Br)c2)C1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is URHBBAHEFSPDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-5-3-8-15(9-11)17-12(2)13-6-4-7-14(16)10-13/h4,6-7,10-12,15,17H,3,5,8-9H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine?
N-[1-(3-bromophenyl)ethyl]-3-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-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43244142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).