1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol

C16H23F2NO3 — CID 75497612

IUPAC1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol
SMILESCC1CC(NCC(O)c2cccc(OC(F)F)c2)CC(C)O1
InChIInChI=1S/C16H23F2NO3/c1-10-6-13(7-11(2)21-10)19-9-15(20)12-4-3-5-14(8-12)22-16(17)18/h3-5,8,10-11,13,15-16,19-20H,6-7,9H2,1-2H3
InChIKeySDSYJDMKPQEAPI-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.87
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol

1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol (PubChem CID 75497612) has the molecular formula C16H23F2NO3 and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol
PubChem CID75497612
Molecular FormulaC16H23F2NO3
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol
SMILESCC1CC(NCC(O)c2cccc(OC(F)F)c2)CC(C)O1
InChIInChI=1S/C16H23F2NO3/c1-10-6-13(7-11(2)21-10)19-9-15(20)12-4-3-5-14(8-12)22-16(17)18/h3-5,8,10-11,13,15-16,19-20H,6-7,9H2,1-2H3
InChIKeySDSYJDMKPQEAPI-UHFFFAOYSA-N
XLogP2.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
CID 81134353
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2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226
1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
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1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
CID 115840010
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115652821
1-(3-bromophenyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethanol
CID 65470485
2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103917723

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol (CID 75497612) is 1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol is CC1CC(NCC(O)c2cccc(OC(F)F)c2)CC(C)O1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol?
The InChIKey is SDSYJDMKPQEAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3/c1-10-6-13(7-11(2)21-10)19-9-15(20)12-4-3-5-14(8-12)22-16(17)18/h3-5,8,10-11,13,15-16,19-20H,6-7,9H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol?
1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol has a molecular weight of 315.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol is sourced from PubChem (CID 75497612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).