2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol

C17H21NOS — CID 2975064

IUPAC2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol
SMILESCSc1ccc(CNC(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C17H21NOS/c1-13(17(19)15-6-4-3-5-7-15)18-12-14-8-10-16(20-2)11-9-14/h3-11,13,17-19H,12H2,1-2H3
InChIKeyIAOBRCUYXDCAQZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.62
Rot. Bonds6

About 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol

2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol (PubChem CID 2975064) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol
PubChem CID2975064
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol
SMILESCSc1ccc(CNC(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C17H21NOS/c1-13(17(19)15-6-4-3-5-7-15)18-12-14-8-10-16(20-2)11-9-14/h3-11,13,17-19H,12H2,1-2H3
InChIKeyIAOBRCUYXDCAQZ-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol (CID 2975064) is 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol is CSc1ccc(CNC(C)C(O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol?
The InChIKey is IAOBRCUYXDCAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13(17(19)15-6-4-3-5-7-15)18-12-14-8-10-16(20-2)11-9-14/h3-11,13,17-19H,12H2,1-2H3.
What are the key properties of 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol?
2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol has a molecular weight of 287.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 2975064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).