N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine

C14H16FNS — CID 102834443

IUPACN-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccsc2C)cc1F
InChIInChI=1S/C14H16FNS/c1-3-16-9-12-5-4-11(8-14(12)15)13-6-7-17-10(13)2/h4-8,16H,3,9H2,1-2H3
InChIKeyGESKDQQSUVSOIC-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.97
Rot. Bonds4

About N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine

N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine (PubChem CID 102834443) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
PubChem CID102834443
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccsc2C)cc1F
InChIInChI=1S/C14H16FNS/c1-3-16-9-12-5-4-11(8-14(12)15)13-6-7-17-10(13)2/h4-8,16H,3,9H2,1-2H3
InChIKeyGESKDQQSUVSOIC-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-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 114060400
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106879302
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 115504105
2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
CID 102834299
N-[[2-chloro-5-(2-methylthiophen-3-yl)phenyl]methyl]propan-1-amine
CID 114076924
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
N-[[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 81128766
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine (CID 102834443) is N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2ccsc2C)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The InChIKey is GESKDQQSUVSOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-3-16-9-12-5-4-11(8-14(12)15)13-6-7-17-10(13)2/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine?
N-[[2-fluoro-4-(2-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-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 102834443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).