N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine

C14H15ClFNOS — CID 55050674

IUPACN-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1ccc(OC)cc1F
InChIInChI=1S/C14H15ClFNOS/c1-3-17-14(12-6-7-13(15)19-12)10-5-4-9(18-2)8-11(10)16/h4-8,14,17H,3H2,1-2H3
InChIKeyNOQPCMFKWGXQIK-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.25
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine

N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 55050674) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID55050674
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC NameN-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1ccc(OC)cc1F
InChIInChI=1S/C14H15ClFNOS/c1-3-17-14(12-6-7-13(15)19-12)10-5-4-9(18-2)8-11(10)16/h4-8,14,17H,3H2,1-2H3
InChIKeyNOQPCMFKWGXQIK-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 55050674) is N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)s1)c1ccc(OC)cc1F.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is NOQPCMFKWGXQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-3-17-14(12-6-7-13(15)19-12)10-5-4-9(18-2)8-11(10)16/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 299.80 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 55050674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).