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

C14H14ClF2NOS — CID 60733278

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

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

N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine (PubChem CID 60733278) has the molecular formula C14H14ClF2NOS and a molecular weight of 317.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine
PubChem CID60733278
Molecular FormulaC14H14ClF2NOS
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine
SMILESCC(NCc1ccc(Cl)s1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H14ClF2NOS/c1-9(18-8-12-6-7-13(15)20-12)10-2-4-11(5-3-10)19-14(16)17/h2-7,9,14,18H,8H2,1H3
InChIKeyFPOFXIVHHGOIGF-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 N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine (CID 60733278) is N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine is CC(NCc1ccc(Cl)s1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is FPOFXIVHHGOIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NOS/c1-9(18-8-12-6-7-13(15)20-12)10-2-4-11(5-3-10)19-14(16)17/h2-7,9,14,18H,8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]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 N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 60733278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).