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

C11H16BrFN2O — CID 106119789

IUPAC5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol
SMILESCC(O)CCCNc1cc(Br)c(F)cc1N
InChIInChI=1S/C11H16BrFN2O/c1-7(16)3-2-4-15-11-5-8(12)9(13)6-10(11)14/h5-7,15-16H,2-4,14H2,1H3
InChIKeyOAXLMYIDXDNUII-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.74
Rot. Bonds5

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

5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol (PubChem CID 106119789) has the molecular formula C11H16BrFN2O and a molecular weight of 291.16 g/mol. Its IUPAC name is 5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol.

Molecular Properties

Compound Name5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol
PubChem CID106119789
Molecular FormulaC11H16BrFN2O
Molecular Weight291.16 g/mol
Exact Mass290.04
IUPAC Name5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol
SMILESCC(O)CCCNc1cc(Br)c(F)cc1N
InChIInChI=1S/C11H16BrFN2O/c1-7(16)3-2-4-15-11-5-8(12)9(13)6-10(11)14/h5-7,15-16H,2-4,14H2,1H3
InChIKeyOAXLMYIDXDNUII-UHFFFAOYSA-N
XLogP2.74
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.74
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-bromo-5-fluoroanilino)pentan-2-ol
CID 106119811
4-bromo-2-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzene-1,2-diamine
CID 116735336
4-bromo-5-fluoro-1-N-(7-methyloctyl)benzene-1,2-diamine
CID 107814758
N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
CID 116735517
2-(2-amino-5-bromo-4-fluoroanilino)-N-propan-2-ylacetamide
CID 116735525
4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
CID 66077275
2-(2-amino-5-bromo-4-fluoroanilino)ethylurea
CID 116736207
1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol
CID 116735989
4-bromo-5-fluoro-1-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 104758724
2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide
CID 114161852
4-bromo-2-N-[2-(3,5-difluorophenyl)ethyl]-5-fluorobenzene-1,2-diamine
CID 116735859
4-amino-3-(4-hydroxypentylamino)benzonitrile
CID 106119787

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol?
The IUPAC name of 5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol (CID 106119789) is 5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol.
What is the SMILES notation for 5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol?
The canonical SMILES for 5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol is CC(O)CCCNc1cc(Br)c(F)cc1N.
What is the InChIKey of 5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol?
The InChIKey is OAXLMYIDXDNUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O/c1-7(16)3-2-4-15-11-5-8(12)9(13)6-10(11)14/h5-7,15-16H,2-4,14H2,1H3.
What are the key properties of 5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol?
5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol has a molecular weight of 291.16 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol is sourced from PubChem (CID 106119789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).