1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol

C15H23F2NO2 — CID 106285685

IUPAC1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCC(O)c1c(F)cccc1F
InChIInChI=1S/C15H23F2NO2/c1-3-10(4-2)13(19)8-18-9-14(20)15-11(16)6-5-7-12(15)17/h5-7,10,13-14,18-20H,3-4,8-9H2,1-2H3
InChIKeyCJWPBPPYHBCQGY-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.38
Rot. Bonds8

About 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol

1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol (PubChem CID 106285685) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
PubChem CID106285685
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCC(O)c1c(F)cccc1F
InChIInChI=1S/C15H23F2NO2/c1-3-10(4-2)13(19)8-18-9-14(20)15-11(16)6-5-7-12(15)17/h5-7,10,13-14,18-20H,3-4,8-9H2,1-2H3
InChIKeyCJWPBPPYHBCQGY-UHFFFAOYSA-N
XLogP2.38
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol with MolForge

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Related Compounds

3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
CID 61171635
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
CID 54938590
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylacetamide
CID 60901983
1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol
CID 107163546
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116017

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol (CID 106285685) is 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNCC(O)c1c(F)cccc1F.
What is the InChIKey of 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol?
The InChIKey is CJWPBPPYHBCQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-3-10(4-2)13(19)8-18-9-14(20)15-11(16)6-5-7-12(15)17/h5-7,10,13-14,18-20H,3-4,8-9H2,1-2H3.
What are the key properties of 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol?
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol has a molecular weight of 287.35 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106285685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).