N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine

C14H16FNS — CID 55119271

IUPACN-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(F)c(C)c2)s1
InChIInChI=1S/C14H16FNS/c1-3-16-9-12-5-7-14(17-12)11-4-6-13(15)10(2)8-11/h4-8,16H,3,9H2,1-2H3
InChIKeyXGYRTPXFUIPSRI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.97
Rot. Bonds4

About N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 55119271) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine
PubChem CID55119271
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(F)c(C)c2)s1
InChIInChI=1S/C14H16FNS/c1-3-16-9-12-5-7-14(17-12)11-4-6-13(15)10(2)8-11/h4-8,16H,3,9H2,1-2H3
InChIKeyXGYRTPXFUIPSRI-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-[[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43287359
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43214098
N-[[5-(3,5-dimethylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287284
N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287254
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 107368901
2-(3,4-difluorophenyl)-5-[9-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]nonyl]thiophene
CID 123940951
N-[[5-(4-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287239
N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287164
3-[5-(ethylaminomethyl)thiophen-2-yl]benzoic acid
CID 84756409
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
CID 61470195
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 82766566

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine (CID 55119271) is N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(-c2ccc(F)c(C)c2)s1.
What is the InChIKey of N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is XGYRTPXFUIPSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-3-16-9-12-5-7-14(17-12)11-4-6-13(15)10(2)8-11/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]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-[[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 55119271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).