(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine

C12H11ClFNOS — CID 65434580

IUPAC(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine
SMILESCOc1cccc(F)c1C(N)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNOS/c1-16-8-4-2-3-7(14)11(8)12(15)9-5-6-10(13)17-9/h2-6,12H,15H2,1H3
InChIKeyKLVRNAWYLVMCGI-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.60
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine

(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine (PubChem CID 65434580) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine
PubChem CID65434580
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine
SMILESCOc1cccc(F)c1C(N)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNOS/c1-16-8-4-2-3-7(14)11(8)12(15)9-5-6-10(13)17-9/h2-6,12H,15H2,1H3
InChIKeyKLVRNAWYLVMCGI-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 114558836
(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine
CID 105173410
(3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 106944889
(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210655
(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine
CID 80531065

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine (CID 65434580) is (5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine is COc1cccc(F)c1C(N)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine?
The InChIKey is KLVRNAWYLVMCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c1-16-8-4-2-3-7(14)11(8)12(15)9-5-6-10(13)17-9/h2-6,12H,15H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine?
(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine has a molecular weight of 271.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine is sourced from PubChem (CID 65434580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).