[4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine

C13H19NOS — CID 106494989

IUPAC[4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
SMILESCc1ccc(CN)c(SCC2CCCO2)c1
InChIInChI=1S/C13H19NOS/c1-10-4-5-11(8-14)13(7-10)16-9-12-3-2-6-15-12/h4-5,7,12H,2-3,6,8-9,14H2,1H3
InChIKeySGZOVJOSLFETFY-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.72
Rot. Bonds4

About [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine

[4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine (PubChem CID 106494989) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
PubChem CID106494989
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
SMILESCc1ccc(CN)c(SCC2CCCO2)c1
InChIInChI=1S/C13H19NOS/c1-10-4-5-11(8-14)13(7-10)16-9-12-3-2-6-15-12/h4-5,7,12H,2-3,6,8-9,14H2,1H3
InChIKeySGZOVJOSLFETFY-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine 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-(1,3-dioxan-4-ylmethylsulfanyl)-4-methylaniline
CID 79142122
[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
CID 106494963
3-methyl-5-(oxolan-2-ylmethylsulfanyl)aniline
CID 106493960
(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496639
5-fluoro-2-(oxolan-2-ylmethylsulfanyl)-4-propan-2-yloxyaniline
CID 106493994
[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol
CID 106496659
5-fluoro-2-methoxy-4-(oxolan-2-ylmethylsulfanyl)aniline
CID 107260230
1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylethanamine
CID 106494705
1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine
CID 106496521
N-[[5-fluoro-2-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 106496493
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
4-chloro-5-fluoro-6-(oxolan-2-ylmethylsulfanyl)benzene-1,3-diamine
CID 106494052

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine?
The IUPAC name of [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine (CID 106494989) is [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine is Cc1ccc(CN)c(SCC2CCCO2)c1.
What is the InChIKey of [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine?
The InChIKey is SGZOVJOSLFETFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-4-5-11(8-14)13(7-10)16-9-12-3-2-6-15-12/h4-5,7,12H,2-3,6,8-9,14H2,1H3.
What are the key properties of [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine?
[4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine has a molecular weight of 237.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 106494989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).