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

C16H19F2NOS — CID 43225866

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C16H19F2NOS/c1-11(2)15(14-8-5-9-21-14)19-10-12-6-3-4-7-13(12)20-16(17)18/h3-9,11,15-16,19H,10H2,1-2H3
InChIKeyNJTYRIGNWYCDMX-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.84
Rot. Bonds7

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

N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 43225866) has the molecular formula C16H19F2NOS and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID43225866
Molecular FormulaC16H19F2NOS
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C16H19F2NOS/c1-11(2)15(14-8-5-9-21-14)19-10-12-6-3-4-7-13(12)20-16(17)18/h3-9,11,15-16,19H,10H2,1-2H3
InChIKeyNJTYRIGNWYCDMX-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

Analyze N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115708122
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
N-[(2-chloro-3-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 112550327
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60696935
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43098513
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 115761561
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741
N-[[2-(difluoromethoxy)phenyl]methyl]-1-ethylsulfonylpropan-2-amine
CID 115626137
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 43225866) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCc1ccccc1OC(F)F)c1cccs1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is NJTYRIGNWYCDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NOS/c1-11(2)15(14-8-5-9-21-14)19-10-12-6-3-4-7-13(12)20-16(17)18/h3-9,11,15-16,19H,10H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[[2-(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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43225866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).