1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine

C17H26BrNO — CID 104657499

IUPAC1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCCOc1ccc(C(NC)C2CCC(C)CC2)cc1Br
InChIInChI=1S/C17H26BrNO/c1-4-20-16-10-9-14(11-15(16)18)17(19-3)13-7-5-12(2)6-8-13/h9-13,17,19H,4-8H2,1-3H3
InChIKeyZMRRRVBOQONHOO-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.93
Rot. Bonds5

About 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine

1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine (PubChem CID 104657499) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
PubChem CID104657499
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCCOc1ccc(C(NC)C2CCC(C)CC2)cc1Br
InChIInChI=1S/C17H26BrNO/c1-4-20-16-10-9-14(11-15(16)18)17(19-3)13-7-5-12(2)6-8-13/h9-13,17,19H,4-8H2,1-3H3
InChIKeyZMRRRVBOQONHOO-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 104657440
1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine
CID 115567170
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988173
N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 104657640
[bromo-(3-bromo-4-ethoxyphenyl)methyl]cyclooctane
CID 104661662
N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine
CID 104658059
N-[(3-bromo-4-propoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 104658099
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988080
2-bromo-4-[bromo(cyclopropyl)methyl]-1-propoxybenzene
CID 104662081
1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 43483728

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine (CID 104657499) is 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine is CCOc1ccc(C(NC)C2CCC(C)CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The InChIKey is ZMRRRVBOQONHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-20-16-10-9-14(11-15(16)18)17(19-3)13-7-5-12(2)6-8-13/h9-13,17,19H,4-8H2,1-3H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine has a molecular weight of 340.31 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 104657499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).