1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol

C14H22F2N2O2 — CID 62842752

IUPAC1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol
SMILESCOCCN(C)CCNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2O2/c1-18(7-8-20-2)6-5-17-10-14(19)12-4-3-11(15)9-13(12)16/h3-4,9,14,17,19H,5-8,10H2,1-2H3
InChIKeyDNCXZMDIECAULP-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.17
Rot. Bonds9

About 1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol

1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol (PubChem CID 62842752) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol
PubChem CID62842752
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol
SMILESCOCCN(C)CCNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2O2/c1-18(7-8-20-2)6-5-17-10-14(19)12-4-3-11(15)9-13(12)16/h3-4,9,14,17,19H,5-8,10H2,1-2H3
InChIKeyDNCXZMDIECAULP-UHFFFAOYSA-N
XLogP1.17
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-1-methoxybutan-2-ol
CID 106246645
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
CID 62640651
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844684
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315194
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol (CID 62842752) is 1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol is COCCN(C)CCNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol?
The InChIKey is DNCXZMDIECAULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-18(7-8-20-2)6-5-17-10-14(19)12-4-3-11(15)9-13(12)16/h3-4,9,14,17,19H,5-8,10H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol?
1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol has a molecular weight of 288.34 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol is sourced from PubChem (CID 62842752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).