1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine

C14H14ClF2NOS — CID 43427113

IUPAC1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
SMILESCC(NCc1ccc(OC(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClF2NOS/c1-9(12-6-7-13(15)20-12)18-8-10-2-4-11(5-3-10)19-14(16)17/h2-7,9,14,18H,8H2,1H3
InChIKeyQPHFYOQQNOAYIC-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.85
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 43427113) has the molecular formula C14H14ClF2NOS and a molecular weight of 317.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
PubChem CID43427113
Molecular FormulaC14H14ClF2NOS
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
SMILESCC(NCc1ccc(OC(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClF2NOS/c1-9(12-6-7-13(15)20-12)18-8-10-2-4-11(5-3-10)19-14(16)17/h2-7,9,14,18H,8H2,1H3
InChIKeyQPHFYOQQNOAYIC-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine (CID 43427113) is 1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine is CC(NCc1ccc(OC(F)F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is QPHFYOQQNOAYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NOS/c1-9(12-6-7-13(15)20-12)18-8-10-2-4-11(5-3-10)19-14(16)17/h2-7,9,14,18H,8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 317.79 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43427113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).