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

C16H25NO3 — CID 64927106

IUPAC2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1cccc(CNCC2CCCCC2O)c1OC
InChIInChI=1S/C16H25NO3/c1-19-15-9-5-7-13(16(15)20-2)11-17-10-12-6-3-4-8-14(12)18/h5,7,9,12,14,17-18H,3-4,6,8,10-11H2,1-2H3
InChIKeyIBWGVWVOKZJRNQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.34
Rot. Bonds6

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

2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64927106) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64927106
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1cccc(CNCC2CCCCC2O)c1OC
InChIInChI=1S/C16H25NO3/c1-19-15-9-5-7-13(16(15)20-2)11-17-10-12-6-3-4-8-14(12)18/h5,7,9,12,14,17-18H,3-4,6,8,10-11H2,1-2H3
InChIKeyIBWGVWVOKZJRNQ-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111469318
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 62350684
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 104791705
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]cyclopentan-1-ol
CID 60888802
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine
CID 60761267
1-(2-chlorocyclohexyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453890
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 64927106) is 2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol is COc1cccc(CNCC2CCCCC2O)c1OC.
What is the InChIKey of 2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IBWGVWVOKZJRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-19-15-9-5-7-13(16(15)20-2)11-17-10-12-6-3-4-8-14(12)18/h5,7,9,12,14,17-18H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of 2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).