(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine

C15H16FNS — CID 115852060

IUPAC(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine
SMILESCSc1ccccc1C(N)c1cc(F)ccc1C
InChIInChI=1S/C15H16FNS/c1-10-7-8-11(16)9-13(10)15(17)12-5-3-4-6-14(12)18-2/h3-9,15H,17H2,1-2H3
InChIKeyTYXCTBAJAZEKCI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.90
Rot. Bonds3

About (5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine

(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine (PubChem CID 115852060) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine
PubChem CID115852060
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine
SMILESCSc1ccccc1C(N)c1cc(F)ccc1C
InChIInChI=1S/C15H16FNS/c1-10-7-8-11(16)9-13(10)15(17)12-5-3-4-6-14(12)18-2/h3-9,15H,17H2,1-2H3
InChIKeyTYXCTBAJAZEKCI-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990698
(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 64712292
(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115852087
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855341
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of (5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine (CID 115852060) is (5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine is CSc1ccccc1C(N)c1cc(F)ccc1C.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine?
The InChIKey is TYXCTBAJAZEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-10-7-8-11(16)9-13(10)15(17)12-5-3-4-6-14(12)18-2/h3-9,15H,17H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine?
(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine has a molecular weight of 261.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 115852060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).