N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine

C14H16FNS — CID 65099885

IUPACN-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2csc(C)c2)c1
InChIInChI=1S/C14H16FNS/c1-3-16-8-11-4-5-14(15)13(7-11)12-6-10(2)17-9-12/h4-7,9,16H,3,8H2,1-2H3
InChIKeyJQOGMOWKOBLEFB-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.97
Rot. Bonds4

About N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine

N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine (PubChem CID 65099885) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
PubChem CID65099885
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2csc(C)c2)c1
InChIInChI=1S/C14H16FNS/c1-3-16-8-11-4-5-14(15)13(7-11)12-6-10(2)17-9-12/h4-7,9,16H,3,8H2,1-2H3
InChIKeyJQOGMOWKOBLEFB-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 105408935
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736
N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 115375063
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
4-fluoro-3-(5-methylthiophen-3-yl)benzaldehyde
CID 65100507
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
CID 63427980
N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine
CID 81154048
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
CID 115503166
N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66021859
N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
CID 79824851

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine (CID 65099885) is N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine is CCNCc1ccc(F)c(-c2csc(C)c2)c1.
What is the InChIKey of N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The InChIKey is JQOGMOWKOBLEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-3-16-8-11-4-5-14(15)13(7-11)12-6-10(2)17-9-12/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 65099885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).