2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol

C17H21NOS — CID 61049185

IUPAC2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccc(C(C)(CO)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H21NOS/c1-13-5-4-6-15(11-13)18-17(2,12-19)14-7-9-16(20-3)10-8-14/h4-11,18-19H,12H2,1-3H3
InChIKeyTWXTYSQPDJMONS-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.04
Rot. Bonds5

About 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol

2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol (PubChem CID 61049185) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol
PubChem CID61049185
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccc(C(C)(CO)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H21NOS/c1-13-5-4-6-15(11-13)18-17(2,12-19)14-7-9-16(20-3)10-8-14/h4-11,18-19H,12H2,1-3H3
InChIKeyTWXTYSQPDJMONS-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61049384
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61048813
2-(3-fluoroanilino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60992748
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol
CID 61048389
2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
CID 61047781
2-(3-methylanilino)-2-(4-methylphenyl)butanoic acid
CID 60993922
1-methyl-3-(3-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]urea
CID 27868795
2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
CID 82972810

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol (CID 61049185) is 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol is CSc1ccc(C(C)(CO)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol?
The InChIKey is TWXTYSQPDJMONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13-5-4-6-15(11-13)18-17(2,12-19)14-7-9-16(20-3)10-8-14/h4-11,18-19H,12H2,1-3H3.
What are the key properties of 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol?
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol has a molecular weight of 287.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 61049185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).