2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol

C14H23FN2O2 — CID 106251260

IUPAC2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(OC)c(F)cc1N
InChIInChI=1S/C14H23FN2O2/c1-4-14(5-2,9-18)8-17-12-7-13(19-3)10(15)6-11(12)16/h6-7,17-18H,4-5,8-9,16H2,1-3H3
InChIKeyKIFXKGBVKKLQIN-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.63
Rot. Bonds7

About 2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol

2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol (PubChem CID 106251260) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
PubChem CID106251260
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(OC)c(F)cc1N
InChIInChI=1S/C14H23FN2O2/c1-4-14(5-2,9-18)8-17-12-7-13(19-3)10(15)6-11(12)16/h6-7,17-18H,4-5,8-9,16H2,1-3H3
InChIKeyKIFXKGBVKKLQIN-UHFFFAOYSA-N
XLogP2.63
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,2-dimethylbutyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103460154
4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
CID 104758804
4-(2-amino-4-fluoro-5-methoxyanilino)butan-1-ol
CID 106840294
2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 103412147
2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251525
2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
4-fluoro-5-methoxy-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 63597325
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
4-fluoro-5-methoxy-1-N-prop-2-enylbenzene-1,2-diamine
CID 63599083
4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine
CID 102694545
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
CID 81412848
1-N-(2-ethylhexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 107819798

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol (CID 106251260) is 2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1cc(OC)c(F)cc1N.
What is the InChIKey of 2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol?
The InChIKey is KIFXKGBVKKLQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-4-14(5-2,9-18)8-17-12-7-13(19-3)10(15)6-11(12)16/h6-7,17-18H,4-5,8-9,16H2,1-3H3.
What are the key properties of 2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol?
2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol has a molecular weight of 270.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106251260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).