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

C14H16FNS — CID 79991736

IUPACN-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2sccc2C)c1
InChIInChI=1S/C14H16FNS/c1-3-16-9-11-4-5-13(15)12(8-11)14-10(2)6-7-17-14/h4-8,16H,3,9H2,1-2H3
InChIKeyPBGHHZYGZDPNHR-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.97
Rot. Bonds4

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

N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine (PubChem CID 79991736) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
PubChem CID79991736
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2sccc2C)c1
InChIInChI=1S/C14H16FNS/c1-3-16-9-11-4-5-13(15)12(8-11)14-10(2)6-7-17-14/h4-8,16H,3,9H2,1-2H3
InChIKeyPBGHHZYGZDPNHR-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-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine
CID 79991631
N-[[3-chloro-4-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 114076799
N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 65099885
N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine
CID 81154048
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
CID 81431793
N-[[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]methyl]ethanamine
CID 79742796
N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine
CID 81447660
2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene
CID 141064474
N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 115375063

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine (CID 79991736) is N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine is CCNCc1ccc(F)c(-c2sccc2C)c1.
What is the InChIKey of N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine?
The InChIKey is PBGHHZYGZDPNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-3-16-9-11-4-5-13(15)12(8-11)14-10(2)6-7-17-14/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(3-methylthiophen-2-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-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 79991736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).