1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

C14H16FNS — CID 102831967

IUPAC1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(C)c(F)c1)c1ccsc1C
InChIInChI=1S/C14H16FNS/c1-9-4-5-11(8-13(9)15)14(16-3)12-6-7-17-10(12)2/h4-8,14,16H,1-3H3
InChIKeyLQUWMDIMLKJQJC-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.81
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102831967) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102831967
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(C)c(F)c1)c1ccsc1C
InChIInChI=1S/C14H16FNS/c1-9-4-5-11(8-13(9)15)14(16-3)12-6-7-17-10(12)2/h4-8,14,16H,1-3H3
InChIKeyLQUWMDIMLKJQJC-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-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483467
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 102842698
1-(3-chloro-4-iodophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 103216562
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841861
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841710
1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840490
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259
1-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107128750
N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841300

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (CID 102831967) is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is CNC(c1ccc(C)c(F)c1)c1ccsc1C.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is LQUWMDIMLKJQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-9-4-5-11(8-13(9)15)14(16-3)12-6-7-17-10(12)2/h4-8,14,16H,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-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-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102831967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).