5-(2-amino-4-fluoroanilino)pentan-1-ol

C11H17FN2O — CID 107316402

IUPAC5-(2-amino-4-fluoroanilino)pentan-1-ol
SMILESNc1cc(F)ccc1NCCCCCO
InChIInChI=1S/C11H17FN2O/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7,13H2
InChIKeyGTHJPZNXDZVOCO-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.98
Rot. Bonds6

About 5-(2-amino-4-fluoroanilino)pentan-1-ol

5-(2-amino-4-fluoroanilino)pentan-1-ol (PubChem CID 107316402) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-(2-amino-4-fluoroanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-amino-4-fluoroanilino)pentan-1-ol
PubChem CID107316402
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name5-(2-amino-4-fluoroanilino)pentan-1-ol
SMILESNc1cc(F)ccc1NCCCCCO
InChIInChI=1S/C11H17FN2O/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7,13H2
InChIKeyGTHJPZNXDZVOCO-UHFFFAOYSA-N
XLogP1.98
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-5-fluoroanilino)butan-1-ol
CID 58656023
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092
5-(2-amino-4-chloroanilino)pentan-1-ol
CID 107316433
4-fluoro-1-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 63982479
4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 18334758
4-(2-amino-4,5-dichloroanilino)butan-1-ol
CID 101197853
6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
CID 107843932
4-(2-amino-4-fluoro-5-methoxyanilino)butan-1-ol
CID 106840294
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
5-(2-fluoroanilino)pentan-1-ol
CID 62227332
6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434438
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-fluoroanilino)pentan-1-ol?
The IUPAC name of 5-(2-amino-4-fluoroanilino)pentan-1-ol (CID 107316402) is 5-(2-amino-4-fluoroanilino)pentan-1-ol.
What is the SMILES notation for 5-(2-amino-4-fluoroanilino)pentan-1-ol?
The canonical SMILES for 5-(2-amino-4-fluoroanilino)pentan-1-ol is Nc1cc(F)ccc1NCCCCCO.
What is the InChIKey of 5-(2-amino-4-fluoroanilino)pentan-1-ol?
The InChIKey is GTHJPZNXDZVOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7,13H2.
What are the key properties of 5-(2-amino-4-fluoroanilino)pentan-1-ol?
5-(2-amino-4-fluoroanilino)pentan-1-ol has a molecular weight of 212.27 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-fluoroanilino)pentan-1-ol is sourced from PubChem (CID 107316402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).