[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol

C16H24BrNO2 — CID 62551822

IUPAC[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
SMILESCOc1ccc(Br)cc1CNC1(CO)CCCC(C)C1
InChIInChI=1S/C16H24BrNO2/c1-12-4-3-7-16(9-12,11-19)18-10-13-8-14(17)5-6-15(13)20-2/h5-6,8,12,18-19H,3-4,7,9-11H2,1-2H3
InChIKeyYSGQHCCYBFEGCS-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.49
Rot. Bonds5

About [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol

[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol (PubChem CID 62551822) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
PubChem CID62551822
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
SMILESCOc1ccc(Br)cc1CNC1(CO)CCCC(C)C1
InChIInChI=1S/C16H24BrNO2/c1-12-4-3-7-16(9-12,11-19)18-10-13-8-14(17)5-6-15(13)20-2/h5-6,8,12,18-19H,3-4,7,9-11H2,1-2H3
InChIKeyYSGQHCCYBFEGCS-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-[(3,5-dibromo-4-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62552336
[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62553023
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749707
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
[1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol
CID 62552357
4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
[1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62520098
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 62552994
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
CID 63051065
methyl 5-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]furan-2-carboxylate
CID 62551826

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol (CID 62551822) is [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol is COc1ccc(Br)cc1CNC1(CO)CCCC(C)C1.
What is the InChIKey of [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol?
The InChIKey is YSGQHCCYBFEGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-12-4-3-7-16(9-12,11-19)18-10-13-8-14(17)5-6-15(13)20-2/h5-6,8,12,18-19H,3-4,7,9-11H2,1-2H3.
What are the key properties of [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol?
[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol has a molecular weight of 342.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62551822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).