N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine

C15H18FNOS — CID 107686825

IUPACN-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCc2cccs2)c(F)c1
InChIInChI=1S/C15H18FNOS/c1-2-17-11-12-5-6-15(14(16)10-12)18-8-7-13-4-3-9-19-13/h3-6,9-10,17H,2,7-8,11H2,1H3
InChIKeyICKREGUTYWRSPE-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.62
Rot. Bonds7

About N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine

N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine (PubChem CID 107686825) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
PubChem CID107686825
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC NameN-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCc2cccs2)c(F)c1
InChIInChI=1S/C15H18FNOS/c1-2-17-11-12-5-6-15(14(16)10-12)18-8-7-13-4-3-9-19-13/h3-6,9-10,17H,2,7-8,11H2,1H3
InChIKeyICKREGUTYWRSPE-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
1-[(4-ethoxy-3-fluorophenyl)methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111833487
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875
N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
CID 63804996
N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine
CID 107686829
N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686976
N-[[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63776384
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 107686809
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107686926

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine (CID 107686825) is N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine is CCNCc1ccc(OCCc2cccs2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine?
The InChIKey is ICKREGUTYWRSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-2-17-11-12-5-6-15(14(16)10-12)18-8-7-13-4-3-9-19-13/h3-6,9-10,17H,2,7-8,11H2,1H3.
What are the key properties of N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 107686825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).