1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C14H16FNS — CID 55083404

IUPAC1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1cc(C)ccc1F)c1sccc1C
InChIInChI=1S/C14H16FNS/c1-9-4-5-12(15)11(8-9)13(16-3)14-10(2)6-7-17-14/h4-8,13,16H,1-3H3
InChIKeyHDCLJNOCQMYJGU-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.81
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 55083404) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID55083404
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1cc(C)ccc1F)c1sccc1C
InChIInChI=1S/C14H16FNS/c1-9-4-5-12(15)11(8-9)13(16-3)14-10(2)6-7-17-14/h4-8,13,16H,1-3H3
InChIKeyHDCLJNOCQMYJGU-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484068
1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 82884048
1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143896
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
1-(3-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 80529274
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852895
1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852683
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
2-[bromo-(2-fluoro-5-methylphenyl)methyl]-3-chlorothiophene
CID 80531659
1-(5-bromo-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 80529266
N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
CID 67733700

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 55083404) is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CNC(c1cc(C)ccc1F)c1sccc1C.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is HDCLJNOCQMYJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-9-4-5-12(15)11(8-9)13(16-3)14-10(2)6-7-17-14/h4-8,13,16H,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 249.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 55083404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).