1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol

C16H19F2NO3S — CID 111449517

IUPAC1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCOc1ccc(OC(F)F)c(CNCC(C)(O)c2ccsc2)c1
InChIInChI=1S/C16H19F2NO3S/c1-16(20,12-5-6-23-9-12)10-19-8-11-7-13(21-2)3-4-14(11)22-15(17)18/h3-7,9,15,19-20H,8,10H2,1-2H3
InChIKeyOXSYBABHPNVCOK-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.36
Rot. Bonds8

About 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol

1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol (PubChem CID 111449517) has the molecular formula C16H19F2NO3S and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol
PubChem CID111449517
Molecular FormulaC16H19F2NO3S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCOc1ccc(OC(F)F)c(CNCC(C)(O)c2ccsc2)c1
InChIInChI=1S/C16H19F2NO3S/c1-16(20,12-5-6-23-9-12)10-19-8-11-7-13(21-2)3-4-14(11)22-15(17)18/h3-7,9,15,19-20H,8,10H2,1-2H3
InChIKeyOXSYBABHPNVCOK-UHFFFAOYSA-N
XLogP3.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol 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

2-[[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methyl]-6-methoxyphenol
CID 111449494
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63062845
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 111121970
5-[[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methyl]-2-methoxybenzonitrile
CID 111467213
1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 63932490
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine
CID 133493352
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
CID 66351900
3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-2-methylpropane-1,2-diol
CID 66171300
N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752889
1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449551
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1,1,2-trimethylguanidine
CID 86781177

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol (CID 111449517) is 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol is COc1ccc(OC(F)F)c(CNCC(C)(O)c2ccsc2)c1.
What is the InChIKey of 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol?
The InChIKey is OXSYBABHPNVCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3S/c1-16(20,12-5-6-23-9-12)10-19-8-11-7-13(21-2)3-4-14(11)22-15(17)18/h3-7,9,15,19-20H,8,10H2,1-2H3.
What are the key properties of 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol?
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol has a molecular weight of 343.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 111449517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).