4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol

C11H17BrN2O — CID 66089189

IUPAC4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
SMILESCC(CCO)CNc1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2O/c1-8(4-5-15)7-14-11-6-9(12)2-3-10(11)13/h2-3,6,8,14-15H,4-5,7,13H2,1H3
InChIKeyUHOUICPKIOHSKZ-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.46
Rot. Bonds5

About 4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol

4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol (PubChem CID 66089189) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
PubChem CID66089189
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
SMILESCC(CCO)CNc1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2O/c1-8(4-5-15)7-14-11-6-9(12)2-3-10(11)13/h2-3,6,8,14-15H,4-5,7,13H2,1H3
InChIKeyUHOUICPKIOHSKZ-UHFFFAOYSA-N
XLogP2.46
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol?
The IUPAC name of 4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol (CID 66089189) is 4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol is CC(CCO)CNc1cc(Br)ccc1N.
What is the InChIKey of 4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol?
The InChIKey is UHOUICPKIOHSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(4-5-15)7-14-11-6-9(12)2-3-10(11)13/h2-3,6,8,14-15H,4-5,7,13H2,1H3.
What are the key properties of 4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol?
4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol has a molecular weight of 273.17 g/mol, XLogP of 2.46, 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-bromoanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 66089189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).