2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol

C14H22F2N2O2 — CID 63059172

IUPAC2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
SMILESCCN(CCO)c1c(F)cc(CNCCOC)cc1F
InChIInChI=1S/C14H22F2N2O2/c1-3-18(5-6-19)14-12(15)8-11(9-13(14)16)10-17-4-7-20-2/h8-9,17,19H,3-7,10H2,1-2H3
InChIKeyDQBDKDMXPXQJDX-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.52
Rot. Bonds9

About 2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol

2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol (PubChem CID 63059172) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
PubChem CID63059172
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
SMILESCCN(CCO)c1c(F)cc(CNCCOC)cc1F
InChIInChI=1S/C14H22F2N2O2/c1-3-18(5-6-19)14-12(15)8-11(9-13(14)16)10-17-4-7-20-2/h8-9,17,19H,3-7,10H2,1-2H3
InChIKeyDQBDKDMXPXQJDX-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)aniline
CID 63060197
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63956847
2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol
CID 107481434
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
CID 84750420
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
CID 107081493
N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 79891677
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 79884097
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
CID 63075915

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol (CID 63059172) is 2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol is CCN(CCO)c1c(F)cc(CNCCOC)cc1F.
What is the InChIKey of 2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
The InChIKey is DQBDKDMXPXQJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-3-18(5-6-19)14-12(15)8-11(9-13(14)16)10-17-4-7-20-2/h8-9,17,19H,3-7,10H2,1-2H3.
What are the key properties of 2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol has a molecular weight of 288.34 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol is sourced from PubChem (CID 63059172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).