N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine

C12H16FNS — CID 79942337

IUPACN-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine
SMILESCc1ccc(F)cc1NC1CSC(C)C1
InChIInChI=1S/C12H16FNS/c1-8-3-4-10(13)6-12(8)14-11-5-9(2)15-7-11/h3-4,6,9,11,14H,5,7H2,1-2H3
InChIKeyNAIGKWXLIDCNNI-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.44
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine

N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine (PubChem CID 79942337) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine
PubChem CID79942337
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine
SMILESCc1ccc(F)cc1NC1CSC(C)C1
InChIInChI=1S/C12H16FNS/c1-8-3-4-10(13)6-12(8)14-11-5-9(2)15-7-11/h3-4,6,9,11,14H,5,7H2,1-2H3
InChIKeyNAIGKWXLIDCNNI-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine
CID 79941633
N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 64722393
5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43633732
5-methyl-N-(2,3,4-trifluorophenyl)thiolan-3-amine
CID 79941681
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512844
5-methyl-N-(3,4,5-trifluorophenyl)thiolan-3-amine
CID 79949375
N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
CID 79942146
N-(4,5-dimethyl-2-nitrophenyl)-5-methylthiolan-3-amine
CID 79949135
2-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79950690
tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiolan-3-amine
CID 79942240
2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide
CID 79941342

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine (CID 79942337) is N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine is Cc1ccc(F)cc1NC1CSC(C)C1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine?
The InChIKey is NAIGKWXLIDCNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-8-3-4-10(13)6-12(8)14-11-5-9(2)15-7-11/h3-4,6,9,11,14H,5,7H2,1-2H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine?
N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine has a molecular weight of 225.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 79942337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).