2-(2-ethylphenyl)-2-(3-methylanilino)ethanol

C17H21NO — CID 55067115

IUPAC2-(2-ethylphenyl)-2-(3-methylanilino)ethanol
SMILESCCc1ccccc1C(CO)Nc1cccc(C)c1
InChIInChI=1S/C17H21NO/c1-3-14-8-4-5-10-16(14)17(12-19)18-15-9-6-7-13(2)11-15/h4-11,17-19H,3,12H2,1-2H3
InChIKeyDUAAXMGVTHOKCY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.70
Rot. Bonds5

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

2-(2-ethylphenyl)-2-(3-methylanilino)ethanol (PubChem CID 55067115) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2-(3-methylanilino)ethanol.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2-(3-methylanilino)ethanol
PubChem CID55067115
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(2-ethylphenyl)-2-(3-methylanilino)ethanol
SMILESCCc1ccccc1C(CO)Nc1cccc(C)c1
InChIInChI=1S/C17H21NO/c1-3-14-8-4-5-10-16(14)17(12-19)18-15-9-6-7-13(2)11-15/h4-11,17-19H,3,12H2,1-2H3
InChIKeyDUAAXMGVTHOKCY-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 62415682
(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 55276460
2-(3-bromoanilino)-2-(2-methylphenyl)ethanol
CID 61048065
4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol
CID 61050381
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-anilino-2-(2,5-dimethylphenyl)ethanol
CID 54977554
2-(3-iodophenyl)-2-(3-methylanilino)ethanol
CID 114283122
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61049384
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2-(3-methylanilino)ethanol?
The IUPAC name of 2-(2-ethylphenyl)-2-(3-methylanilino)ethanol (CID 55067115) is 2-(2-ethylphenyl)-2-(3-methylanilino)ethanol.
What is the SMILES notation for 2-(2-ethylphenyl)-2-(3-methylanilino)ethanol?
The canonical SMILES for 2-(2-ethylphenyl)-2-(3-methylanilino)ethanol is CCc1ccccc1C(CO)Nc1cccc(C)c1.
What is the InChIKey of 2-(2-ethylphenyl)-2-(3-methylanilino)ethanol?
The InChIKey is DUAAXMGVTHOKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-14-8-4-5-10-16(14)17(12-19)18-15-9-6-7-13(2)11-15/h4-11,17-19H,3,12H2,1-2H3.
What are the key properties of 2-(2-ethylphenyl)-2-(3-methylanilino)ethanol?
2-(2-ethylphenyl)-2-(3-methylanilino)ethanol has a molecular weight of 255.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2-(3-methylanilino)ethanol is sourced from PubChem (CID 55067115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).