4-(2-amino-5-bromoanilino)butan-2-ol

C10H15BrN2O — CID 65342417

IUPAC4-(2-amino-5-bromoanilino)butan-2-ol
SMILESCC(O)CCNc1cc(Br)ccc1N
InChIInChI=1S/C10H15BrN2O/c1-7(14)4-5-13-10-6-8(11)2-3-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyHJYVWJGKXIUWGZ-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.21
Rot. Bonds4

About 4-(2-amino-5-bromoanilino)butan-2-ol

4-(2-amino-5-bromoanilino)butan-2-ol (PubChem CID 65342417) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 4-(2-amino-5-bromoanilino)butan-2-ol.

Molecular Properties

Compound Name4-(2-amino-5-bromoanilino)butan-2-ol
PubChem CID65342417
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name4-(2-amino-5-bromoanilino)butan-2-ol
SMILESCC(O)CCNc1cc(Br)ccc1N
InChIInChI=1S/C10H15BrN2O/c1-7(14)4-5-13-10-6-8(11)2-3-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyHJYVWJGKXIUWGZ-UHFFFAOYSA-N
XLogP2.21
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.21
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

4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
4-amino-3-(3-hydroxybutylamino)benzonitrile
CID 104712041
4-bromo-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine;ethane
CID 145256343
4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
CID 66089189
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 65342354
4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
CID 65343096
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate
CID 129386301
4-bromo-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 65342774
4-(3-amino-2-methylanilino)butan-2-ol
CID 64928447

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-bromoanilino)butan-2-ol?
The IUPAC name of 4-(2-amino-5-bromoanilino)butan-2-ol (CID 65342417) is 4-(2-amino-5-bromoanilino)butan-2-ol.
What is the SMILES notation for 4-(2-amino-5-bromoanilino)butan-2-ol?
The canonical SMILES for 4-(2-amino-5-bromoanilino)butan-2-ol is CC(O)CCNc1cc(Br)ccc1N.
What is the InChIKey of 4-(2-amino-5-bromoanilino)butan-2-ol?
The InChIKey is HJYVWJGKXIUWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7(14)4-5-13-10-6-8(11)2-3-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3.
What are the key properties of 4-(2-amino-5-bromoanilino)butan-2-ol?
4-(2-amino-5-bromoanilino)butan-2-ol has a molecular weight of 259.15 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-bromoanilino)butan-2-ol is sourced from PubChem (CID 65342417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).