1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine

C12H18FNS — CID 105371937

IUPAC1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)cc1CSCC(C)(C)N
InChIInChI=1S/C12H18FNS/c1-9-4-5-11(13)6-10(9)7-15-8-12(2,3)14/h4-6H,7-8,14H2,1-3H3
InChIKeyPDJCOXTZHJNAOC-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.10
Rot. Bonds4

About 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine

1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine (PubChem CID 105371937) has the molecular formula C12H18FNS and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
PubChem CID105371937
Molecular FormulaC12H18FNS
Molecular Weight227.35 g/mol
Exact Mass227.11
IUPAC Name1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)cc1CSCC(C)(C)N
InChIInChI=1S/C12H18FNS/c1-9-4-5-11(13)6-10(9)7-15-8-12(2,3)14/h4-6H,7-8,14H2,1-3H3
InChIKeyPDJCOXTZHJNAOC-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-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

2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine
CID 105371908
3-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
CID 105371932
1-[(4-chloro-2-fluorophenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 114849741
3-[(5-fluoro-2-methylphenyl)methylsulfanyl]propanoic acid
CID 105369880
1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine
CID 105372271
1-[(2-chloro-4-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 106864070
2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
CID 105371930
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66229738

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine (CID 105371937) is 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine is Cc1ccc(F)cc1CSCC(C)(C)N.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine?
The InChIKey is PDJCOXTZHJNAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNS/c1-9-4-5-11(13)6-10(9)7-15-8-12(2,3)14/h4-6H,7-8,14H2,1-3H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine?
1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine has a molecular weight of 227.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105371937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).