2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol

C18H23NO — CID 60902513

IUPAC2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCc1cccc(NCC(O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23NO/c1-13(2)15-7-9-16(10-8-15)18(20)12-19-17-6-4-5-14(3)11-17/h4-11,13,18-20H,12H2,1-3H3
InChIKeyDJHCDEVDUNWTQV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.26
Rot. Bonds5

About 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol

2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 60902513) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID60902513
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCc1cccc(NCC(O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23NO/c1-13(2)15-7-9-16(10-8-15)18(20)12-19-17-6-4-5-14(3)11-17/h4-11,13,18-20H,12H2,1-3H3
InChIKeyDJHCDEVDUNWTQV-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560
2-(3-methylanilino)-1-naphthalen-2-ylethanol
CID 60903235
2-(3-ethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901862
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63487797
2-(2,6-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 62330797
4-[1-hydroxy-2-(3-propan-2-ylanilino)ethyl]benzonitrile
CID 60900218
2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60903681
2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol (CID 60902513) is 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol is Cc1cccc(NCC(O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is DJHCDEVDUNWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)15-7-9-16(10-8-15)18(20)12-19-17-6-4-5-14(3)11-17/h4-11,13,18-20H,12H2,1-3H3.
What are the key properties of 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol?
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 269.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 60902513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).