3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine

C17H19NOS — CID 104523755

IUPAC3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCSc1ccc(NC2c3ccccc3OCC2C)cc1
InChIInChI=1S/C17H19NOS/c1-12-11-19-16-6-4-3-5-15(16)17(12)18-13-7-9-14(20-2)10-8-13/h3-10,12,17-18H,11H2,1-2H3
InChIKeyOEOTYIUFZXTVBI-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.59
Rot. Bonds3

About 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine

3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104523755) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104523755
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCSc1ccc(NC2c3ccccc3OCC2C)cc1
InChIInChI=1S/C17H19NOS/c1-12-11-19-16-6-4-3-5-15(16)17(12)18-13-7-9-14(20-2)10-8-13/h3-10,12,17-18H,11H2,1-2H3
InChIKeyOEOTYIUFZXTVBI-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine 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

N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524228
2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol
CID 107700076
N-(3-bromo-4-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524166
3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydrochromen-4-amine
CID 81139369
N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524377
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523967
N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103478175
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523924
2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 104523960

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104523755) is 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine is CSc1ccc(NC2c3ccccc3OCC2C)cc1.
What is the InChIKey of 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OEOTYIUFZXTVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-12-11-19-16-6-4-3-5-15(16)17(12)18-13-7-9-14(20-2)10-8-13/h3-10,12,17-18H,11H2,1-2H3.
What are the key properties of 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine?
3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104523755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).