1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C17H27NO3 — CID 62866382

IUPAC1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCCOc1cccc(CNCC2(O)CCCCC2)c1OC
InChIInChI=1S/C17H27NO3/c1-3-21-15-9-7-8-14(16(15)20-2)12-18-13-17(19)10-5-4-6-11-17/h7-9,18-19H,3-6,10-13H2,1-2H3
InChIKeyBOXXKIUVDBBBIP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.88
Rot. Bonds7

About 1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 62866382) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID62866382
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCCOc1cccc(CNCC2(O)CCCCC2)c1OC
InChIInChI=1S/C17H27NO3/c1-3-21-15-9-7-8-14(16(15)20-2)12-18-13-17(19)10-5-4-6-11-17/h7-9,18-19H,3-6,10-13H2,1-2H3
InChIKeyBOXXKIUVDBBBIP-UHFFFAOYSA-N
XLogP2.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848277
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115525
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765654
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353060
1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide
CID 110922665

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 62866382) is 1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is CCOc1cccc(CNCC2(O)CCCCC2)c1OC.
What is the InChIKey of 1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is BOXXKIUVDBBBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-21-15-9-7-8-14(16(15)20-2)12-18-13-17(19)10-5-4-6-11-17/h7-9,18-19H,3-6,10-13H2,1-2H3.
What are the key properties of 1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62866382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).