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

C12H17F2NO2 — CID 43499288

IUPAC1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
SMILESCC(O)CNC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H17F2NO2/c1-8(16)7-15-9(2)10-4-3-5-11(6-10)17-12(13)14/h3-6,8-9,12,15-16H,7H2,1-2H3
InChIKeyMYZAHJBVOOSEEL-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.32
Rot. Bonds6

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

1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol (PubChem CID 43499288) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
PubChem CID43499288
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
SMILESCC(O)CNC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H17F2NO2/c1-8(16)7-15-9(2)10-4-3-5-11(6-10)17-12(13)14/h3-6,8-9,12,15-16H,7H2,1-2H3
InChIKeyMYZAHJBVOOSEEL-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol
CID 103779713
1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43095815
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-(2-methylpropyl)acetamide
CID 115900197
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2,4-dimethylpentan-2-ol
CID 66179772
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894084
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol?
The IUPAC name of 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol (CID 43499288) is 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol?
The canonical SMILES for 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol is CC(O)CNC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol?
The InChIKey is MYZAHJBVOOSEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-8(16)7-15-9(2)10-4-3-5-11(6-10)17-12(13)14/h3-6,8-9,12,15-16H,7H2,1-2H3.
What are the key properties of 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol?
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol has a molecular weight of 245.27 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol is sourced from PubChem (CID 43499288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).