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

C15H25NO3 — CID 115655973

IUPAC3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
SMILESCCOc1cccc(CNC(C)(C)CCO)c1OC
InChIInChI=1S/C15H25NO3/c1-5-19-13-8-6-7-12(14(13)18-4)11-16-15(2,3)9-10-17/h6-8,16-17H,5,9-11H2,1-4H3
InChIKeyWFDARYUWUYIXCY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds8

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

3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol (PubChem CID 115655973) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
PubChem CID115655973
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
SMILESCCOc1cccc(CNC(C)(C)CCO)c1OC
InChIInChI=1S/C15H25NO3/c1-5-19-13-8-6-7-12(14(13)18-4)11-16-15(2,3)9-10-17/h6-8,16-17H,5,9-11H2,1-4H3
InChIKeyWFDARYUWUYIXCY-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43221626
N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide
CID 115281366
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
2-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17206072
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824190
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol (CID 115655973) is 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol is CCOc1cccc(CNC(C)(C)CCO)c1OC.
What is the InChIKey of 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is WFDARYUWUYIXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-19-13-8-6-7-12(14(13)18-4)11-16-15(2,3)9-10-17/h6-8,16-17H,5,9-11H2,1-4H3.
What are the key properties of 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol?
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115655973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).