2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

C17H26BrNO — CID 116769029

IUPAC2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2cccc(Br)c2)CCC(C)(C)CC1
InChIInChI=1S/C17H26BrNO/c1-16(2)7-9-17(20-3,10-8-16)15(19)12-13-5-4-6-14(18)11-13/h4-6,11,15H,7-10,12,19H2,1-3H3
InChIKeyLFDCVMQTBIABJL-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.30
Rot. Bonds4

About 2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (PubChem CID 116769029) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
PubChem CID116769029
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2cccc(Br)c2)CCC(C)(C)CC1
InChIInChI=1S/C17H26BrNO/c1-16(2)7-9-17(20-3,10-8-16)15(19)12-13-5-4-6-14(18)11-13/h4-6,11,15H,7-10,12,19H2,1-3H3
InChIKeyLFDCVMQTBIABJL-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769197
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 116768960
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 116766322
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288
[2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105278104
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (CID 116769029) is 2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is COC1(C(N)Cc2cccc(Br)c2)CCC(C)(C)CC1.
What is the InChIKey of 2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is LFDCVMQTBIABJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-16(2)7-9-17(20-3,10-8-16)15(19)12-13-5-4-6-14(18)11-13/h4-6,11,15H,7-10,12,19H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 116769029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).