1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine

C16H19F2NOS — CID 115860987

IUPAC1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H19F2NOS/c1-2-19-15(10-9-14-4-3-11-21-14)12-5-7-13(8-6-12)20-16(17)18/h3-8,11,15-16,19H,2,9-10H2,1H3
InChIKeyLDNZZPMZGKVDDT-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.63
Rot. Bonds8

About 1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine

1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860987) has the molecular formula C16H19F2NOS and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860987
Molecular FormulaC16H19F2NOS
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H19F2NOS/c1-2-19-15(10-9-14-4-3-11-21-14)12-5-7-13(8-6-12)20-16(17)18/h3-8,11,15-16,19H,2,9-10H2,1H3
InChIKeyLDNZZPMZGKVDDT-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
CID 43201404
N-[1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethyl]propan-1-amine
CID 61065695
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860962
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine
CID 115849054
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029421

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine (CID 115860987) is 1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is LDNZZPMZGKVDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NOS/c1-2-19-15(10-9-14-4-3-11-21-14)12-5-7-13(8-6-12)20-16(17)18/h3-8,11,15-16,19H,2,9-10H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine?
1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 311.40 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).