2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol

C17H21NO3 — CID 81134083

IUPAC2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2ccc(OC)c(C)c2)c1
InChIInChI=1S/C17H21NO3/c1-12-9-14(7-8-17(12)21-3)18-11-16(19)13-5-4-6-15(10-13)20-2/h4-10,16,18-19H,11H2,1-3H3
InChIKeyFMRIEBNJPXCBOB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.16
Rot. Bonds6

About 2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol

2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol (PubChem CID 81134083) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol
PubChem CID81134083
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2ccc(OC)c(C)c2)c1
InChIInChI=1S/C17H21NO3/c1-12-9-14(7-8-17(12)21-3)18-11-16(19)13-5-4-6-15(10-13)20-2/h4-10,16,18-19H,11H2,1-3H3
InChIKeyFMRIEBNJPXCBOB-UHFFFAOYSA-N
XLogP3.16
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134599
2-(3-bromo-5-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 107583297
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
CID 107811332
1-(3-methoxyphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 133470904
2-(5-bromo-2-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81135103
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382243
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
CID 111803076
2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134030
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol (CID 81134083) is 2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNc2ccc(OC)c(C)c2)c1.
What is the InChIKey of 2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol?
The InChIKey is FMRIEBNJPXCBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-9-14(7-8-17(12)21-3)18-11-16(19)13-5-4-6-15(10-13)20-2/h4-10,16,18-19H,11H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol?
2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol has a molecular weight of 287.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).