1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine

C14H16FNS — CID 114997444

IUPAC1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(C)c(-c2ccc(C)c(F)c2)s1
InChIInChI=1S/C14H16FNS/c1-9-4-5-11(7-13(9)15)14-10(2)6-12(17-14)8-16-3/h4-7,16H,8H2,1-3H3
InChIKeyOYGALENRYTXSLG-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.89
Rot. Bonds3

About 1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine

1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine (PubChem CID 114997444) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
PubChem CID114997444
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(C)c(-c2ccc(C)c(F)c2)s1
InChIInChI=1S/C14H16FNS/c1-9-4-5-11(7-13(9)15)14-10(2)6-12(17-14)8-16-3/h4-7,16H,8H2,1-3H3
InChIKeyOYGALENRYTXSLG-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 114997554
1-[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 114997556
1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106887791
5-(3-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78973945
1-[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841103
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
CID 61470195
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811882
1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine
CID 172876693
2-(3-fluoro-4-methylphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978384
1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61033370
1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
CID 79690156

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine (CID 114997444) is 1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(C)c(-c2ccc(C)c(F)c2)s1.
What is the InChIKey of 1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is OYGALENRYTXSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-9-4-5-11(7-13(9)15)14-10(2)6-12(17-14)8-16-3/h4-7,16H,8H2,1-3H3.
What are the key properties of 1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114997444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).