3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol

C13H19F2NO — CID 65337460

IUPAC3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol
SMILESCC(NC(C)C(C)(C)O)c1c(F)cccc1F
InChIInChI=1S/C13H19F2NO/c1-8(16-9(2)13(3,4)17)12-10(14)6-5-7-11(12)15/h5-9,16-17H,1-4H3
InChIKeyUUIDMDNBKBTYQD-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.77
Rot. Bonds4

About 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol

3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol (PubChem CID 65337460) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol
PubChem CID65337460
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol
SMILESCC(NC(C)C(C)(C)O)c1c(F)cccc1F
InChIInChI=1S/C13H19F2NO/c1-8(16-9(2)13(3,4)17)12-10(14)6-5-7-11(12)15/h5-9,16-17H,1-4H3
InChIKeyUUIDMDNBKBTYQD-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
CID 82684718
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253650
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
CID 43499407
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
CID 103389171
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43201964
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81397361
N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 43101920
1-(2,6-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 54863683
N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 81398184
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol
CID 65337707

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol (CID 65337460) is 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol is CC(NC(C)C(C)(C)O)c1c(F)cccc1F.
What is the InChIKey of 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is UUIDMDNBKBTYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-8(16-9(2)13(3,4)17)12-10(14)6-5-7-11(12)15/h5-9,16-17H,1-4H3.
What are the key properties of 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol?
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 243.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65337460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).