(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine

C13H18FNS — CID 105169976

IUPAC(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine
SMILESCc1cc(F)cc(C(N)C2(C)CCCS2)c1
InChIInChI=1S/C13H18FNS/c1-9-6-10(8-11(14)7-9)12(15)13(2)4-3-5-16-13/h6-8,12H,3-5,15H2,1-2H3
InChIKeyWFTLABYVMWBBPZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.42
Rot. Bonds2

About (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine

(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine (PubChem CID 105169976) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine
PubChem CID105169976
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine
SMILESCc1cc(F)cc(C(N)C2(C)CCCS2)c1
InChIInChI=1S/C13H18FNS/c1-9-6-10(8-11(14)7-9)12(15)13(2)4-3-5-16-13/h6-8,12H,3-5,15H2,1-2H3
InChIKeyWFTLABYVMWBBPZ-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)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

N-[(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105170078
1-(3,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105142071
(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105078411
(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine
CID 105016628
(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105086960
1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070361
(2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine
CID 105145112
(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105094902
2-(2-methylphenyl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105091740

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine?
The IUPAC name of (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine (CID 105169976) is (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine is Cc1cc(F)cc(C(N)C2(C)CCCS2)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine?
The InChIKey is WFTLABYVMWBBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-9-6-10(8-11(14)7-9)12(15)13(2)4-3-5-16-13/h6-8,12H,3-5,15H2,1-2H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine?
(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine has a molecular weight of 239.36 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine is sourced from PubChem (CID 105169976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).