[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine

C12H11ClFNOS — CID 112608155

IUPAC[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1cccc(F)c1OCc1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNOS/c13-11-5-4-9(17-11)7-16-12-8(6-15)2-1-3-10(12)14/h1-5H,6-7,15H2
InChIKeyOIBYRJRDSPBGDT-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.58
Rot. Bonds4

About [2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine

[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 112608155) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
PubChem CID112608155
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1cccc(F)c1OCc1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNOS/c13-11-5-4-9(17-11)7-16-12-8(6-15)2-1-3-10(12)14/h1-5H,6-7,15H2
InChIKeyOIBYRJRDSPBGDT-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 112608169
(E)-3-[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]prop-2-enoic acid
CID 115956994
2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene
CID 112614060
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-5-chlorothiophene
CID 112614144
[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619743
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
1-[3-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390194

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine (CID 112608155) is [2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine is NCc1cccc(F)c1OCc1ccc(Cl)s1.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is OIBYRJRDSPBGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c13-11-5-4-9(17-11)7-16-12-8(6-15)2-1-3-10(12)14/h1-5H,6-7,15H2.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine?
[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine has a molecular weight of 271.74 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 112608155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).