1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol

C14H21F2NO — CID 115609626

IUPAC1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol
SMILESCCCC(C)(C)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO/c1-4-8-14(2,3)17-9-12(18)13-10(15)6-5-7-11(13)16/h5-7,12,17-18H,4,8-9H2,1-3H3
InChIKeyQRQGDPHKMJRUAG-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.17
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol

1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol (PubChem CID 115609626) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol
PubChem CID115609626
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol
SMILESCCCC(C)(C)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO/c1-4-8-14(2,3)17-9-12(18)13-10(15)6-5-7-11(13)16/h5-7,12,17-18H,4,8-9H2,1-3H3
InChIKeyQRQGDPHKMJRUAG-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 65148322
1-butyl-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450361
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
CID 61171635
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzonitrile
CID 115702324
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
CID 107598972
1-(2,6-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811525
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol (CID 115609626) is 1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol is CCCC(C)(C)NCC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol?
The InChIKey is QRQGDPHKMJRUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-4-8-14(2,3)17-9-12(18)13-10(15)6-5-7-11(13)16/h5-7,12,17-18H,4,8-9H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol?
1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol has a molecular weight of 257.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol is sourced from PubChem (CID 115609626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).