1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol

C13H19F2NO2 — CID 64603633

IUPAC1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
SMILESCOCCC(C)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C13H19F2NO2/c1-9(6-7-18-2)16-8-12(17)13-10(14)4-3-5-11(13)15/h3-5,9,12,16-17H,6-8H2,1-2H3
InChIKeyBZHQNZRWDNXXTF-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.01
Rot. Bonds7

About 1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol

1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol (PubChem CID 64603633) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
PubChem CID64603633
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
SMILESCOCCC(C)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C13H19F2NO2/c1-9(6-7-18-2)16-8-12(17)13-10(14)4-3-5-11(13)15/h3-5,9,12,16-17H,6-8H2,1-2H3
InChIKeyBZHQNZRWDNXXTF-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
CID 82722763
N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
CID 64602570
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol
CID 113359747
tert-butyl 3-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]butanoate
CID 110013396
1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953069
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol
CID 81356349
N-(2,2-diphenylethyl)-4-methoxybutan-2-amine
CID 103746904
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 114275160
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044732

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol (CID 64603633) is 1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol is COCCC(C)NCC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol?
The InChIKey is BZHQNZRWDNXXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-9(6-7-18-2)16-8-12(17)13-10(14)4-3-5-11(13)15/h3-5,9,12,16-17H,6-8H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol?
1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol has a molecular weight of 259.30 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol is sourced from PubChem (CID 64603633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).