N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine

C17H26BrNO — CID 104988095

IUPACN-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1OC)C1CCC(C)CC1
InChIInChI=1S/C17H26BrNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-10-9-14(18)11-16(15)20-3/h9-13,17,19H,4-8H2,1-3H3
InChIKeySKJSRINGJJWRSF-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.93
Rot. Bonds5

About N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine

N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 104988095) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
PubChem CID104988095
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1OC)C1CCC(C)CC1
InChIInChI=1S/C17H26BrNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-10-9-14(18)11-16(15)20-3/h9-13,17,19H,4-8H2,1-3H3
InChIKeySKJSRINGJJWRSF-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-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 103523411
N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 104994290
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938
N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 106792296
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986510
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine (CID 104988095) is N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1OC)C1CCC(C)CC1.
What is the InChIKey of N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is SKJSRINGJJWRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-10-9-14(18)11-16(15)20-3/h9-13,17,19H,4-8H2,1-3H3.
What are the key properties of N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine?
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine 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 N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104988095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).