6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol

C18H29NO2 — CID 79843512

IUPAC6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCOc1cccc(CN(C)CC2CCCC(C)(C)C2O)c1
InChIInChI=1S/C18H29NO2/c1-18(2)10-6-8-15(17(18)20)13-19(3)12-14-7-5-9-16(11-14)21-4/h5,7,9,11,15,17,20H,6,8,10,12-13H2,1-4H3
InChIKeyHKNQVYIWUMTEME-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.31
Rot. Bonds5

About 6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol

6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79843512) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79843512
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCOc1cccc(CN(C)CC2CCCC(C)(C)C2O)c1
InChIInChI=1S/C18H29NO2/c1-18(2)10-6-8-15(17(18)20)13-19(3)12-14-7-5-9-16(11-14)21-4/h5,7,9,11,15,17,20H,6,8,10,12-13H2,1-4H3
InChIKeyHKNQVYIWUMTEME-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849284
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 66054578
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614928
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine
CID 107069067
N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 79577305
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol (CID 79843512) is 6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol is COc1cccc(CN(C)CC2CCCC(C)(C)C2O)c1.
What is the InChIKey of 6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is HKNQVYIWUMTEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2)10-6-8-15(17(18)20)13-19(3)12-14-7-5-9-16(11-14)21-4/h5,7,9,11,15,17,20H,6,8,10,12-13H2,1-4H3.
What are the key properties of 6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol?
6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79843512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).