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

C16H19F2NOS — CID 43225881

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1ccc(OC(F)F)cc1)c1cccs1
InChIInChI=1S/C16H19F2NOS/c1-11(2)15(14-4-3-9-21-14)19-10-12-5-7-13(8-6-12)20-16(17)18/h3-9,11,15-16,19H,10H2,1-2H3
InChIKeyWRCTUQHGNGBUMH-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.84
Rot. Bonds7

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

N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 43225881) has the molecular formula C16H19F2NOS and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID43225881
Molecular FormulaC16H19F2NOS
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1ccc(OC(F)F)cc1)c1cccs1
InChIInChI=1S/C16H19F2NOS/c1-11(2)15(14-4-3-9-21-14)19-10-12-5-7-13(8-6-12)20-16(17)18/h3-9,11,15-16,19H,10H2,1-2H3
InChIKeyWRCTUQHGNGBUMH-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 43225881) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCc1ccc(OC(F)F)cc1)c1cccs1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is WRCTUQHGNGBUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NOS/c1-11(2)15(14-4-3-9-21-14)19-10-12-5-7-13(8-6-12)20-16(17)18/h3-9,11,15-16,19H,10H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 311.40 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43225881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).