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

C10H15FN2O — CID 58656023

IUPAC4-(2-amino-5-fluoroanilino)butan-1-ol
SMILESNc1ccc(F)cc1NCCCCO
InChIInChI=1S/C10H15FN2O/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6,12H2
InChIKeyIGLKFJWBSGTAMQ-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.59
Rot. Bonds5

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

4-(2-amino-5-fluoroanilino)butan-1-ol (PubChem CID 58656023) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-(2-amino-5-fluoroanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2-amino-5-fluoroanilino)butan-1-ol
PubChem CID58656023
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name4-(2-amino-5-fluoroanilino)butan-1-ol
SMILESNc1ccc(F)cc1NCCCCO
InChIInChI=1S/C10H15FN2O/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6,12H2
InChIKeyIGLKFJWBSGTAMQ-UHFFFAOYSA-N
XLogP1.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.59
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

5-(2-amino-4-fluoroanilino)pentan-1-ol
CID 107316402
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
CID 106333751
4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
CID 107843856
2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
CID 62376760
4-(2-amino-4,5-dichloroanilino)butan-1-ol
CID 101197853
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 115124195
1-(2-amino-5-fluoroanilino)-2-methylpropan-2-ol
CID 65103407
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-fluoroanilino)butan-1-ol?
The IUPAC name of 4-(2-amino-5-fluoroanilino)butan-1-ol (CID 58656023) is 4-(2-amino-5-fluoroanilino)butan-1-ol.
What is the SMILES notation for 4-(2-amino-5-fluoroanilino)butan-1-ol?
The canonical SMILES for 4-(2-amino-5-fluoroanilino)butan-1-ol is Nc1ccc(F)cc1NCCCCO.
What is the InChIKey of 4-(2-amino-5-fluoroanilino)butan-1-ol?
The InChIKey is IGLKFJWBSGTAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6,12H2.
What are the key properties of 4-(2-amino-5-fluoroanilino)butan-1-ol?
4-(2-amino-5-fluoroanilino)butan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-fluoroanilino)butan-1-ol is sourced from PubChem (CID 58656023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).