2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine

C16H24BrN — CID 65391214

IUPAC2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine
SMILESCC1(C)CCC(C(N)Cc2ccccc2Br)CC1
InChIInChI=1S/C16H24BrN/c1-16(2)9-7-12(8-10-16)15(18)11-13-5-3-4-6-14(13)17/h3-6,12,15H,7-11,18H2,1-2H3
InChIKeyGPDMCFCGSRVDPB-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.54
Rot. Bonds3

About 2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine

2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine (PubChem CID 65391214) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine
PubChem CID65391214
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine
SMILESCC1(C)CCC(C(N)Cc2ccccc2Br)CC1
InChIInChI=1S/C16H24BrN/c1-16(2)9-7-12(8-10-16)15(18)11-13-5-3-4-6-14(13)17/h3-6,12,15H,7-11,18H2,1-2H3
InChIKeyGPDMCFCGSRVDPB-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine
CID 105087726
2-(2-bromophenyl)-1-(thiolan-3-yl)ethanamine
CID 105087716
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243555
2-(2-bromophenyl)-1-(thiolan-2-yl)ethanamine
CID 80623175
2-(2-amino-2-cyclopropylethyl)phenol
CID 83827756
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83176155
[2-(2-bromophenyl)-1-cyclohexylethyl]hydrazine
CID 105201966
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 65391804
2-(2-bromophenyl)-1-(1-phenylcyclopentyl)ethanamine
CID 63417762
2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine
CID 114216183

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine (CID 65391214) is 2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine is CC1(C)CCC(C(N)Cc2ccccc2Br)CC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is GPDMCFCGSRVDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-16(2)9-7-12(8-10-16)15(18)11-13-5-3-4-6-14(13)17/h3-6,12,15H,7-11,18H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine?
2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 310.28 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 65391214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).