2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol

C14H23FN2O — CID 114068232

IUPAC2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol
SMILESCCN(CCO)c1c(F)cccc1CNC(C)C
InChIInChI=1S/C14H23FN2O/c1-4-17(8-9-18)14-12(10-16-11(2)3)6-5-7-13(14)15/h5-7,11,16,18H,4,8-10H2,1-3H3
InChIKeyAHRKSIXOYOGLRC-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.14
Rot. Bonds7

About 2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol

2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol (PubChem CID 114068232) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol
PubChem CID114068232
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol
SMILESCCN(CCO)c1c(F)cccc1CNC(C)C
InChIInChI=1S/C14H23FN2O/c1-4-17(8-9-18)14-12(10-16-11(2)3)6-5-7-13(14)15/h5-7,11,16,18H,4,8-10H2,1-3H3
InChIKeyAHRKSIXOYOGLRC-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline
CID 114068173
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
CID 63075915
2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol
CID 60979986
[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
CID 114067502
3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
CID 114059235
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 114068300
2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol
CID 60685335
2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol
CID 114068233
[3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol
CID 114067470
N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 55009119
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol (CID 114068232) is 2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol is CCN(CCO)c1c(F)cccc1CNC(C)C.
What is the InChIKey of 2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol?
The InChIKey is AHRKSIXOYOGLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-17(8-9-18)14-12(10-16-11(2)3)6-5-7-13(14)15/h5-7,11,16,18H,4,8-10H2,1-3H3.
What are the key properties of 2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol?
2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol has a molecular weight of 254.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol is sourced from PubChem (CID 114068232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).