3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol

C13H19F2NO2 — CID 65031608

IUPAC3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO2/c1-9(8-17)7-16-10(2)11-3-5-12(6-4-11)18-13(14)15/h3-6,9-10,13,16-17H,7-8H2,1-2H3
InChIKeyYICKRQDAGNWLFJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.57
Rot. Bonds7

About 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol

3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol (PubChem CID 65031608) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
PubChem CID65031608
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO2/c1-9(8-17)7-16-10(2)11-3-5-12(6-4-11)18-13(14)15/h3-6,9-10,13,16-17H,7-8H2,1-2H3
InChIKeyYICKRQDAGNWLFJ-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
CID 106171785
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
CID 43205404
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol
CID 103788003
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
[1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopentyl]methanol
CID 115358503
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427
4-[1-[4-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 54920730
2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol
CID 59930214
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
N-[1-[4-(difluoromethoxy)phenyl]ethyl]pent-3-yn-1-amine
CID 104758071

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol (CID 65031608) is 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol is CC(CO)CNC(C)c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol?
The InChIKey is YICKRQDAGNWLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-9(8-17)7-16-10(2)11-3-5-12(6-4-11)18-13(14)15/h3-6,9-10,13,16-17H,7-8H2,1-2H3.
What are the key properties of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol?
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 65031608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).