2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline

C14H16FNOS — CID 43729988

IUPAC2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1ccc(C)s1
InChIInChI=1S/C14H16FNOS/c1-3-17-14-8-11(15)5-7-13(14)16-9-12-6-4-10(2)18-12/h4-8,16H,3,9H2,1-2H3
InChIKeyBRSGXWIYWDQEGQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP4.21
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline

2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 43729988) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID43729988
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1ccc(C)s1
InChIInChI=1S/C14H16FNOS/c1-3-17-14-8-11(15)5-7-13(14)16-9-12-6-4-10(2)18-12/h4-8,16H,3,9H2,1-2H3
InChIKeyBRSGXWIYWDQEGQ-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227
methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate
CID 43735120
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]-2-nitroaniline
CID 43685252
N-[(3-bromothiophen-2-yl)methyl]-2-ethoxy-4-fluoroaniline
CID 115380053
N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 66418425
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 18778448

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 43729988) is 2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline is CCOc1cc(F)ccc1NCc1ccc(C)s1.
What is the InChIKey of 2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is BRSGXWIYWDQEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-3-17-14-8-11(15)5-7-13(14)16-9-12-6-4-10(2)18-12/h4-8,16H,3,9H2,1-2H3.
What are the key properties of 2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline?
2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline has a molecular weight of 265.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 43729988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).