4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol

C11H17FN2O2 — CID 107259327

IUPAC4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
SMILESCOc1cc(NCCC(C)O)c(F)cc1N
InChIInChI=1S/C11H17FN2O2/c1-7(15)3-4-14-10-6-11(16-2)9(13)5-8(10)12/h5-7,14-15H,3-4,13H2,1-2H3
InChIKeyCMEIBKXFLJYAAV-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.60
Rot. Bonds5

About 4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol

4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol (PubChem CID 107259327) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol.

Molecular Properties

Compound Name4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
PubChem CID107259327
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
SMILESCOc1cc(NCCC(C)O)c(F)cc1N
InChIInChI=1S/C11H17FN2O2/c1-7(15)3-4-14-10-6-11(16-2)9(13)5-8(10)12/h5-7,14-15H,3-4,13H2,1-2H3
InChIKeyCMEIBKXFLJYAAV-UHFFFAOYSA-N
XLogP1.60
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.60
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-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol
CID 107259384
1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259174
4-(4-amino-2-fluoroanilino)butan-2-ol
CID 64928841
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
CID 106290037
4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
CID 66077275
2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 107258627
5-(2-fluoro-5-methoxy-4-nitroanilino)pentan-2-ol
CID 107269258
1-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259201
1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107819905
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol?
The IUPAC name of 4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol (CID 107259327) is 4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol.
What is the SMILES notation for 4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol?
The canonical SMILES for 4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol is COc1cc(NCCC(C)O)c(F)cc1N.
What is the InChIKey of 4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol?
The InChIKey is CMEIBKXFLJYAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-7(15)3-4-14-10-6-11(16-2)9(13)5-8(10)12/h5-7,14-15H,3-4,13H2,1-2H3.
What are the key properties of 4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol?
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol has a molecular weight of 228.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol is sourced from PubChem (CID 107259327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).