2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol

C17H21NO2 — CID 62131550

IUPAC2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
SMILESCOc1ccc(C(CO)Nc2cccc(C)c2)cc1C
InChIInChI=1S/C17H21NO2/c1-12-5-4-6-15(9-12)18-16(11-19)14-7-8-17(20-3)13(2)10-14/h4-10,16,18-19H,11H2,1-3H3
InChIKeyYNZBNAWNJKITQH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.46
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol

2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol (PubChem CID 62131550) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
PubChem CID62131550
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
SMILESCOc1ccc(C(CO)Nc2cccc(C)c2)cc1C
InChIInChI=1S/C17H21NO2/c1-12-5-4-6-15(9-12)18-16(11-19)14-7-8-17(20-3)13(2)10-14/h4-10,16,18-19H,11H2,1-3H3
InChIKeyYNZBNAWNJKITQH-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 61048471
4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol
CID 61050381
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
2-(3-iodophenyl)-2-(3-methylanilino)ethanol
CID 114283122
N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 65385518
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61049384
2-[2-(dimethylamino)ethylamino]-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132457
2-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol (CID 62131550) is 2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol is COc1ccc(C(CO)Nc2cccc(C)c2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol?
The InChIKey is YNZBNAWNJKITQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-4-6-15(9-12)18-16(11-19)14-7-8-17(20-3)13(2)10-14/h4-10,16,18-19H,11H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol?
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol has a molecular weight of 271.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol is sourced from PubChem (CID 62131550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).