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

C16H19NO — CID 61050180

IUPAC2-(3-methylanilino)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(NC(CO)c2cccc(C)c2)c1
InChIInChI=1S/C16H19NO/c1-12-5-3-7-14(9-12)16(11-18)17-15-8-4-6-13(2)10-15/h3-10,16-18H,11H2,1-2H3
InChIKeyIZVZPUHRTKKNBB-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.45
Rot. Bonds4

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

2-(3-methylanilino)-2-(3-methylphenyl)ethanol (PubChem CID 61050180) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-methylanilino)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-methylanilino)-2-(3-methylphenyl)ethanol
PubChem CID61050180
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(3-methylanilino)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(NC(CO)c2cccc(C)c2)c1
InChIInChI=1S/C16H19NO/c1-12-5-3-7-14(9-12)16(11-18)17-15-8-4-6-13(2)10-15/h3-10,16-18H,11H2,1-2H3
InChIKeyIZVZPUHRTKKNBB-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-iodophenyl)-2-(3-methylanilino)ethanol
CID 114283122
4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol
CID 61050381
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61049384
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
2-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-(2-ethylphenyl)-2-(3-methylanilino)ethanol
CID 55067115
2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 61055543
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-2-(3-methylphenyl)ethanol?
The IUPAC name of 2-(3-methylanilino)-2-(3-methylphenyl)ethanol (CID 61050180) is 2-(3-methylanilino)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-methylanilino)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(3-methylanilino)-2-(3-methylphenyl)ethanol is Cc1cccc(NC(CO)c2cccc(C)c2)c1.
What is the InChIKey of 2-(3-methylanilino)-2-(3-methylphenyl)ethanol?
The InChIKey is IZVZPUHRTKKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-5-3-7-14(9-12)16(11-18)17-15-8-4-6-13(2)10-15/h3-10,16-18H,11H2,1-2H3.
What are the key properties of 2-(3-methylanilino)-2-(3-methylphenyl)ethanol?
2-(3-methylanilino)-2-(3-methylphenyl)ethanol has a molecular weight of 241.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 61050180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).