[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine

C12H12FNOS — CID 112608169

IUPAC[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine
SMILESNCc1cccc(F)c1OCc1ccsc1
InChIInChI=1S/C12H12FNOS/c13-11-3-1-2-10(6-14)12(11)15-7-9-4-5-16-8-9/h1-5,8H,6-7,14H2
InChIKeyBAIVBPQMFXJVQX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.92
Rot. Bonds4

About [3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine

[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine (PubChem CID 112608169) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine
PubChem CID112608169
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine
SMILESNCc1cccc(F)c1OCc1ccsc1
InChIInChI=1S/C12H12FNOS/c13-11-3-1-2-10(6-14)12(11)15-7-9-4-5-16-8-9/h1-5,8H,6-7,14H2
InChIKeyBAIVBPQMFXJVQX-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 115952103
[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine
CID 112607618
[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608155
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608195
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
CID 112607984
4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 115952042
[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
CID 112608217
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine (CID 112608169) is [3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine is NCc1cccc(F)c1OCc1ccsc1.
What is the InChIKey of [3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine?
The InChIKey is BAIVBPQMFXJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-11-3-1-2-10(6-14)12(11)15-7-9-4-5-16-8-9/h1-5,8H,6-7,14H2.
What are the key properties of [3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine?
[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 112608169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).