3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol

C12H19FN2O — CID 106166911

IUPAC3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(N)cc(F)c1
InChIInChI=1S/C12H19FN2O/c1-3-12(2,4-5-16)15-11-7-9(13)6-10(14)8-11/h6-8,15-16H,3-5,14H2,1-2H3
InChIKeyNPAKQUVZENKODC-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.37
Rot. Bonds5

About 3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol

3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol (PubChem CID 106166911) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol
PubChem CID106166911
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(N)cc(F)c1
InChIInChI=1S/C12H19FN2O/c1-3-12(2,4-5-16)15-11-7-9(13)6-10(14)8-11/h6-8,15-16H,3-5,14H2,1-2H3
InChIKeyNPAKQUVZENKODC-UHFFFAOYSA-N
XLogP2.37
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.37
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-(3-aminoanilino)-3-methylpentan-1-ol
CID 106167043
2-(3-amino-5-fluoroanilino)-2-ethylpropane-1,3-diol
CID 107864533
3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
3-(2-amino-4-fluoro-5-methylanilino)-3-methylpentan-1-ol
CID 114152904
3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol
CID 106167028
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178744
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol
CID 106167096
4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165228
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179255
3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol?
The IUPAC name of 3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol (CID 106166911) is 3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol is CCC(C)(CCO)Nc1cc(N)cc(F)c1.
What is the InChIKey of 3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol?
The InChIKey is NPAKQUVZENKODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-12(2,4-5-16)15-11-7-9(13)6-10(14)8-11/h6-8,15-16H,3-5,14H2,1-2H3.
What are the key properties of 3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol?
3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol is sourced from PubChem (CID 106166911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).