6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine

C17H19NOS — CID 79367211

IUPAC6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1ccc(SC)cc1)CC2
InChIInChI=1S/C17H19NOS/c1-19-14-7-3-12-4-10-17(16(12)11-14)18-13-5-8-15(20-2)9-6-13/h3,5-9,11,17-18H,4,10H2,1-2H3
InChIKeyYHWOSAJLJOWPHY-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.52
Rot. Bonds4

About 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79367211) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79367211
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1ccc(SC)cc1)CC2
InChIInChI=1S/C17H19NOS/c1-19-14-7-3-12-4-10-17(16(12)11-14)18-13-5-8-15(20-2)9-6-13/h3,5-9,11,17-18H,4,10H2,1-2H3
InChIKeyYHWOSAJLJOWPHY-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-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

6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79370051
6-methoxy-N-(4-propylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369357
6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369623
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 107572282
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032
N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 102852883
N-(2,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366302
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654
N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367032

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 79367211) is 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(Nc1ccc(SC)cc1)CC2.
What is the InChIKey of 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YHWOSAJLJOWPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-19-14-7-3-12-4-10-17(16(12)11-14)18-13-5-8-15(20-2)9-6-13/h3,5-9,11,17-18H,4,10H2,1-2H3.
What are the key properties of 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79367211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).