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

C15H23F2NO2 — CID 103779713

IUPAC1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-10(2)7-13(19)9-18-11(3)12-5-4-6-14(8-12)20-15(16)17/h4-6,8,10-11,13,15,18-19H,7,9H2,1-3H3
InChIKeySVGUGLCDPDENJU-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.35
Rot. Bonds8

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

1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol (PubChem CID 103779713) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol
PubChem CID103779713
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-10(2)7-13(19)9-18-11(3)12-5-4-6-14(8-12)20-15(16)17/h4-6,8,10-11,13,15,18-19H,7,9H2,1-3H3
InChIKeySVGUGLCDPDENJU-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
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
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
(1R)-1-[3-(difluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171206124
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2,4-dimethylpentan-2-ol
CID 66179772
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414582

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol?
The IUPAC name of 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol (CID 103779713) is 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol is CC(C)CC(O)CNC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol?
The InChIKey is SVGUGLCDPDENJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-10(2)7-13(19)9-18-11(3)12-5-4-6-14(8-12)20-15(16)17/h4-6,8,10-11,13,15,18-19H,7,9H2,1-3H3.
What are the key properties of 1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol?
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol has a molecular weight of 287.35 g/mol, XLogP of 3.35, 8 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]-4-methylpentan-2-ol is sourced from PubChem (CID 103779713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).