2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol

C13H19F2NO2 — CID 43207134

IUPAC2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-3-10(8-17)16-9(2)11-6-4-5-7-12(11)18-13(14)15/h4-7,9-10,13,16-17H,3,8H2,1-2H3
InChIKeyPLEKQADHBVOFCM-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.71
Rot. Bonds7

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

2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol (PubChem CID 43207134) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
PubChem CID43207134
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-3-10(8-17)16-9(2)11-6-4-5-7-12(11)18-13(14)15/h4-7,9-10,13,16-17H,3,8H2,1-2H3
InChIKeyPLEKQADHBVOFCM-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
CID 43787074
N-[1-[2-(difluoromethoxy)phenyl]ethyl]pent-1-yn-3-amine
CID 106225024
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797
methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 115352796
2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 106840787
2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476075
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol?
The IUPAC name of 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol (CID 43207134) is 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol.
What is the SMILES notation for 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol?
The canonical SMILES for 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol is CCC(CO)NC(C)c1ccccc1OC(F)F.
What is the InChIKey of 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol?
The InChIKey is PLEKQADHBVOFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-10(8-17)16-9(2)11-6-4-5-7-12(11)18-13(14)15/h4-7,9-10,13,16-17H,3,8H2,1-2H3.
What are the key properties of 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol?
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol is sourced from PubChem (CID 43207134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).