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

C13H19F2NO — CID 79253650

IUPAC2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(NC(CO)C(C)C)c1c(F)cccc1F
InChIInChI=1S/C13H19F2NO/c1-8(2)12(7-17)16-9(3)13-10(14)5-4-6-11(13)15/h4-6,8-9,12,16-17H,7H2,1-3H3
InChIKeyPMUNWUFIOGXUBC-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.63
Rot. Bonds5

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

2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 79253650) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID79253650
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(NC(CO)C(C)C)c1c(F)cccc1F
InChIInChI=1S/C13H19F2NO/c1-8(2)12(7-17)16-9(3)13-10(14)5-4-6-11(13)15/h4-6,8-9,12,16-17H,7H2,1-3H3
InChIKeyPMUNWUFIOGXUBC-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786462
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 112700466
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65034042
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
CID 103389171
N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
CID 82684718
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
2-(2-fluoroanilino)-3-methylbutan-1-ol
CID 61317704
N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 43101920
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol
CID 65337460
2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79253084
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol (CID 79253650) is 2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol is CC(NC(CO)C(C)C)c1c(F)cccc1F.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is PMUNWUFIOGXUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-8(2)12(7-17)16-9(3)13-10(14)5-4-6-11(13)15/h4-6,8-9,12,16-17H,7H2,1-3H3.
What are the key properties of 2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79253650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).