N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine

C14H16FNS — CID 114060259

IUPACN-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)cc1-c1ccc(C)s1
InChIInChI=1S/C14H16FNS/c1-3-16-9-11-5-6-12(15)8-13(11)14-7-4-10(2)17-14/h4-8,16H,3,9H2,1-2H3
InChIKeyIUJIPXRRCISDPK-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.97
Rot. Bonds4

About N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine

N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine (PubChem CID 114060259) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine
PubChem CID114060259
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)cc1-c1ccc(C)s1
InChIInChI=1S/C14H16FNS/c1-3-16-9-11-5-6-12(15)8-13(11)14-7-4-10(2)17-14/h4-8,16H,3,9H2,1-2H3
InChIKeyIUJIPXRRCISDPK-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
5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile
CID 114077912
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63807872
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 78921852
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 43443488
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841371
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 79691626

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine (CID 114060259) is N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine is CCNCc1ccc(F)cc1-c1ccc(C)s1.
What is the InChIKey of N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine?
The InChIKey is IUJIPXRRCISDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-3-16-9-11-5-6-12(15)8-13(11)14-7-4-10(2)17-14/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine?
N-[[4-fluoro-2-(5-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-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114060259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).