3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol

C11H17FN2O — CID 103590479

IUPAC3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol
SMILESCc1cc(NCC(C)CO)c(N)cc1F
InChIInChI=1S/C11H17FN2O/c1-7(6-15)5-14-11-3-8(2)9(12)4-10(11)13/h3-4,7,14-15H,5-6,13H2,1-2H3
InChIKeyWPDNHYLCICXXJY-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.76
Rot. Bonds4

About 3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol

3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol (PubChem CID 103590479) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol
PubChem CID103590479
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol
SMILESCc1cc(NCC(C)CO)c(N)cc1F
InChIInChI=1S/C11H17FN2O/c1-7(6-15)5-14-11-3-8(2)9(12)4-10(11)13/h3-4,7,14-15H,5-6,13H2,1-2H3
InChIKeyWPDNHYLCICXXJY-UHFFFAOYSA-N
XLogP1.76
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.76
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

3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol
CID 103585509
4-fluoro-1-N-(3-methoxy-2-methylpropyl)-5-methylbenzene-1,2-diamine
CID 103590251
1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
CID 103590481
4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
CID 103590813
3-(3-fluoro-4-methylanilino)-2-methylpropan-1-ol
CID 115871883
3-(2-amino-4-fluoro-5-methylanilino)propanamide
CID 103589966
3-(2-amino-4-fluoro-5-methylanilino)-4,4-dimethylpentan-1-ol
CID 106348410
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
3-[2-(2-amino-4-fluoro-5-methylanilino)ethylsulfanyl]propan-1-ol
CID 114171723
(2R,3S,4S)-5-(2-amino-4,5-dimethylanilino)pentane-1,2,3,4-tetrol
CID 11380211
4-fluoro-5-methyl-1-N-(2-methyl-2-methylsulfanylpropyl)benzene-1,2-diamine
CID 103590744
4-fluoro-1-N-hexyl-5-methylbenzene-1,2-diamine
CID 103590438

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol (CID 103590479) is 3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol is Cc1cc(NCC(C)CO)c(N)cc1F.
What is the InChIKey of 3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol?
The InChIKey is WPDNHYLCICXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-7(6-15)5-14-11-3-8(2)9(12)4-10(11)13/h3-4,7,14-15H,5-6,13H2,1-2H3.
What are the key properties of 3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol?
3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol has a molecular weight of 212.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 103590479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).