1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol

C17H27NO3 — CID 65115525

IUPAC1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCOc1cccc(CNCC2(O)CCC(C)CC2)c1OC
InChIInChI=1S/C17H27NO3/c1-13-7-9-17(19,10-8-13)12-18-11-14-5-4-6-15(20-2)16(14)21-3/h4-6,13,18-19H,7-12H2,1-3H3
InChIKeyDZGSYLVRUWTYLG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds6

About 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol

1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115525) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65115525
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCOc1cccc(CNCC2(O)CCC(C)CC2)c1OC
InChIInChI=1S/C17H27NO3/c1-13-7-9-17(19,10-8-13)12-18-11-14-5-4-6-15(20-2)16(14)21-3/h4-6,13,18-19H,7-12H2,1-3H3
InChIKeyDZGSYLVRUWTYLG-UHFFFAOYSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268272
1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866382
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 104791871
1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267379
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115558
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 62350684
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110350
3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848277
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol (CID 65115525) is 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol is COc1cccc(CNCC2(O)CCC(C)CC2)c1OC.
What is the InChIKey of 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is DZGSYLVRUWTYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-7-9-17(19,10-8-13)12-18-11-14-5-4-6-15(20-2)16(14)21-3/h4-6,13,18-19H,7-12H2,1-3H3.
What are the key properties of 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).