4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline

C13H14FNOS — CID 63774739

IUPAC4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
SMILESCOc1cc(F)ccc1NCCc1cccs1
InChIInChI=1S/C13H14FNOS/c1-16-13-9-10(14)4-5-12(13)15-7-6-11-3-2-8-17-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyMSCSYKFZIJBHHT-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.55
Rot. Bonds5

About 4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline

4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 63774739) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
PubChem CID63774739
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
SMILESCOc1cc(F)ccc1NCCc1cccs1
InChIInChI=1S/C13H14FNOS/c1-16-13-9-10(14)4-5-12(13)15-7-6-11-3-2-8-17-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyMSCSYKFZIJBHHT-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167
5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 18279765
2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 60932472
2-phenoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63776386
3-bromo-5-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 82868460
N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525122
4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 102975690
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
4-ethoxy-5-fluoro-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 55218205
N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 43312639
3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
CID 83961408

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline (CID 63774739) is 4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline is COc1cc(F)ccc1NCCc1cccs1.
What is the InChIKey of 4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is MSCSYKFZIJBHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-16-13-9-10(14)4-5-12(13)15-7-6-11-3-2-8-17-11/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline?
4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 251.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63774739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).