2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol

C13H19F2NO4 — CID 106187407

IUPAC2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCc1cccc(OC)c1OC(F)F
InChIInChI=1S/C13H19F2NO4/c1-18-8-10(7-17)16-6-9-4-3-5-11(19-2)12(9)20-13(14)15/h3-5,10,13,16-17H,6-8H2,1-2H3
InChIKeyPNSXOOCJMQHJOS-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.39
Rot. Bonds9

About 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol

2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol (PubChem CID 106187407) has the molecular formula C13H19F2NO4 and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol
PubChem CID106187407
Molecular FormulaC13H19F2NO4
Molecular Weight291.29 g/mol
Exact Mass291.13
IUPAC Name2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCc1cccc(OC)c1OC(F)F
InChIInChI=1S/C13H19F2NO4/c1-18-8-10(7-17)16-6-9-4-3-5-11(19-2)12(9)20-13(14)15/h3-5,10,13,16-17H,6-8H2,1-2H3
InChIKeyPNSXOOCJMQHJOS-UHFFFAOYSA-N
XLogP1.39
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61464281
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884
2-[[3-methoxy-2-(2-methylpropoxy)phenyl]methylamino]butan-1-ol
CID 54849183
4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol
CID 66089640
2-[2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]ethoxy]acetamide
CID 106235526
2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol
CID 114078765
methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate
CID 43726123
1-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43406346
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol (CID 106187407) is 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol is COCC(CO)NCc1cccc(OC)c1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol?
The InChIKey is PNSXOOCJMQHJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO4/c1-18-8-10(7-17)16-6-9-4-3-5-11(19-2)12(9)20-13(14)15/h3-5,10,13,16-17H,6-8H2,1-2H3.
What are the key properties of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol?
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol has a molecular weight of 291.29 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106187407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).