3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol

C13H19F2NO2 — CID 115666360

IUPAC3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-2-16(8-5-9-17)10-11-6-3-4-7-12(11)18-13(14)15/h3-4,6-7,13,17H,2,5,8-10H2,1H3
InChIKeyXEYSNLMXKYFXLL-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.49
Rot. Bonds8

About 3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol

3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol (PubChem CID 115666360) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
PubChem CID115666360
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-2-16(8-5-9-17)10-11-6-3-4-7-12(11)18-13(14)15/h3-4,6-7,13,17H,2,5,8-10H2,1H3
InChIKeyXEYSNLMXKYFXLL-UHFFFAOYSA-N
XLogP2.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62022488
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propanoic acid
CID 61011180
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
2-[[ethyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 115582111
2-[carboxymethyl-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 63644790
1-[4-(diethylamino)butyl]-2-[[2-(difluoromethoxy)phenyl]methyl]-3-ethylguanidine
CID 111866136
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 62681478
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
2-[cyclopentyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62016633
N-[[2-(difluoromethoxy)phenyl]methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720660
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol?
The IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol (CID 115666360) is 3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol?
The canonical SMILES for 3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol is CCN(CCCO)Cc1ccccc1OC(F)F.
What is the InChIKey of 3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol?
The InChIKey is XEYSNLMXKYFXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-2-16(8-5-9-17)10-11-6-3-4-7-12(11)18-13(14)15/h3-4,6-7,13,17H,2,5,8-10H2,1H3.
What are the key properties of 3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol?
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol is sourced from PubChem (CID 115666360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).