1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol

C11H17FN2O — CID 103590481

IUPAC1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
SMILESCc1cc(NCC(C)(C)O)c(N)cc1F
InChIInChI=1S/C11H17FN2O/c1-7-4-10(9(13)5-8(7)12)14-6-11(2,3)15/h4-5,14-15H,6,13H2,1-3H3
InChIKeyBGLPZWJBZDZYHY-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol

1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol (PubChem CID 103590481) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
PubChem CID103590481
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
SMILESCc1cc(NCC(C)(C)O)c(N)cc1F
InChIInChI=1S/C11H17FN2O/c1-7-4-10(9(13)5-8(7)12)14-6-11(2,3)15/h4-5,14-15H,6,13H2,1-3H3
InChIKeyBGLPZWJBZDZYHY-UHFFFAOYSA-N
XLogP1.90
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methyl-1-N-(2-methyl-2-methylsulfanylpropyl)benzene-1,2-diamine
CID 103590744
4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
CID 103590813
1-(2-amino-5-fluoroanilino)-2-methylpropan-2-ol
CID 65103407
1-(4-fluoro-5-methyl-2-nitroanilino)-2-methylpropan-2-ol
CID 103591758
3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol
CID 103590479
3-(2-amino-4-fluoro-5-methylanilino)propanamide
CID 103589966
4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
CID 103590041
3-(2-amino-4-fluoro-5-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 103590704
ethyl 4-(2-amino-4-fluoro-5-methylanilino)butanoate
CID 103590466
4-fluoro-1-N-hexyl-5-methylbenzene-1,2-diamine
CID 103590438
3-(2-amino-4-fluoro-5-methylanilino)-4,4-dimethylpentan-1-ol
CID 106348410
4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120184

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol (CID 103590481) is 1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol is Cc1cc(NCC(C)(C)O)c(N)cc1F.
What is the InChIKey of 1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol?
The InChIKey is BGLPZWJBZDZYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-7-4-10(9(13)5-8(7)12)14-6-11(2,3)15/h4-5,14-15H,6,13H2,1-3H3.
What are the key properties of 1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol?
1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol has a molecular weight of 212.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 103590481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).