(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine

C15H16FNS — CID 79747463

IUPAC(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C15H16FNS/c1-10-9-12(5-8-14(10)16)15(17)11-3-6-13(18-2)7-4-11/h3-9,15H,17H2,1-2H3
InChIKeyQVSJMYBPRLSLOK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.90
Rot. Bonds3

About (4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine

(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine (PubChem CID 79747463) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
PubChem CID79747463
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C15H16FNS/c1-10-9-12(5-8-14(10)16)15(17)11-3-6-13(18-2)7-4-11/h3-9,15H,17H2,1-2H3
InChIKeyQVSJMYBPRLSLOK-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

(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103302099
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115852240
(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 114248943
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
N-[(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 79721561
3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
CID 105142950

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine (CID 79747463) is (4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine is CSc1ccc(C(N)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
The InChIKey is QVSJMYBPRLSLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-10-9-12(5-8-14(10)16)15(17)11-3-6-13(18-2)7-4-11/h3-9,15H,17H2,1-2H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
(4-fluoro-3-methylphenyl)-(4-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 (4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79747463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).