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

C14H16FNS — CID 114060400

IUPACN-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)cc1-c1ccsc1C
InChIInChI=1S/C14H16FNS/c1-3-16-9-11-4-5-12(15)8-14(11)13-6-7-17-10(13)2/h4-8,16H,3,9H2,1-2H3
InChIKeyVCLZBKHAOHKQLF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.97
Rot. Bonds4

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

N-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine (PubChem CID 114060400) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
PubChem CID114060400
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)cc1-c1ccsc1C
InChIInChI=1S/C14H16FNS/c1-3-16-9-11-4-5-12(15)8-14(11)13-6-7-17-10(13)2/h4-8,16H,3,9H2,1-2H3
InChIKeyVCLZBKHAOHKQLF-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-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 102834443
N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 114060259
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[[2-(3-bromothiophen-2-yl)-4-fluorophenyl]methyl]propan-1-amine
CID 114060312
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
1-(2-bromo-4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78971593
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107695622
N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 79691626
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine (CID 114060400) is N-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine is CCNCc1ccc(F)cc1-c1ccsc1C.
What is the InChIKey of N-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The InChIKey is VCLZBKHAOHKQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-3-16-9-11-4-5-12(15)8-14(11)13-6-7-17-10(13)2/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine?
N-[[4-fluoro-2-(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-[[4-fluoro-2-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114060400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).