N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine

C17H26BrNO — CID 64737947

IUPACN-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC2CCC(C)C(C)C2)c(Br)c1
InChIInChI=1S/C17H26BrNO/c1-4-19-11-14-6-8-17(16(18)10-14)20-15-7-5-12(2)13(3)9-15/h6,8,10,12-13,15,19H,4-5,7,9,11H2,1-3H3
InChIKeyCHOPZZQYOMFTQV-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.76
Rot. Bonds5

About N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine

N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine (PubChem CID 64737947) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
PubChem CID64737947
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC2CCC(C)C(C)C2)c(Br)c1
InChIInChI=1S/C17H26BrNO/c1-4-19-11-14-6-8-17(16(18)10-14)20-15-7-5-12(2)13(3)9-15/h6,8,10,12-13,15,19H,4-5,7,9,11H2,1-3H3
InChIKeyCHOPZZQYOMFTQV-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739355
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
CID 63045521
N-[[3-bromo-4-(4-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64750225
N-[(3-bromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63501039
N-[[3-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739556
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530
N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 63045683
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64745370
N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 114319168
N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 63044994

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine (CID 64737947) is N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine is CCNCc1ccc(OC2CCC(C)C(C)C2)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
The InChIKey is CHOPZZQYOMFTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-19-11-14-6-8-17(16(18)10-14)20-15-7-5-12(2)13(3)9-15/h6,8,10,12-13,15,19H,4-5,7,9,11H2,1-3H3.
What are the key properties of N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine is sourced from PubChem (CID 64737947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).