4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol

C15H22BrNO2 — CID 115149526

IUPAC4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
SMILESCOc1ccc(CN(C)C2CCC(O)CC2)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-17(12-4-6-13(18)7-5-12)10-11-3-8-15(19-2)14(16)9-11/h3,8-9,12-13,18H,4-7,10H2,1-2H3
InChIKeyQFMFBVQHZORTFY-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.19
Rot. Bonds4

About 4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol

4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 115149526) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
PubChem CID115149526
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
SMILESCOc1ccc(CN(C)C2CCC(O)CC2)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-17(12-4-6-13(18)7-5-12)10-11-3-8-15(19-2)14(16)9-11/h3,8-9,12-13,18H,4-7,10H2,1-2H3
InChIKeyQFMFBVQHZORTFY-UHFFFAOYSA-N
XLogP3.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838335
4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120433
N-[(3-bromo-4-methoxyphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 60669797
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339207
N-(2-bromoethyl)-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopropanamine
CID 80670003
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine
CID 60687002
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224072
2-[(3-bromo-4-methoxyphenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044469
5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol
CID 82983306
1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 60969227
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol (CID 115149526) is 4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol is COc1ccc(CN(C)C2CCC(O)CC2)cc1Br.
What is the InChIKey of 4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is QFMFBVQHZORTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17(12-4-6-13(18)7-5-12)10-11-3-8-15(19-2)14(16)9-11/h3,8-9,12-13,18H,4-7,10H2,1-2H3.
What are the key properties of 4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol?
4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 328.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 115149526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).