2-(4-bromophenyl)-1-(methylamino)butan-2-ol

C11H16BrNO — CID 62773006

IUPAC2-(4-bromophenyl)-1-(methylamino)butan-2-ol
SMILESCCC(O)(CNC)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-3-11(14,8-13-2)9-4-6-10(12)7-5-9/h4-7,13-14H,3,8H2,1-2H3
InChIKeyCLTUSSCLAPSXIC-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.27
Rot. Bonds4

About 2-(4-bromophenyl)-1-(methylamino)butan-2-ol

2-(4-bromophenyl)-1-(methylamino)butan-2-ol (PubChem CID 62773006) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(methylamino)butan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(methylamino)butan-2-ol
PubChem CID62773006
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(4-bromophenyl)-1-(methylamino)butan-2-ol
SMILESCCC(O)(CNC)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-3-11(14,8-13-2)9-4-6-10(12)7-5-9/h4-7,13-14H,3,8H2,1-2H3
InChIKeyCLTUSSCLAPSXIC-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-1-(methylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(methylamino)butan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-1-(methylamino)butan-2-ol (CID 62773006) is 2-(4-bromophenyl)-1-(methylamino)butan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(methylamino)butan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-1-(methylamino)butan-2-ol is CCC(O)(CNC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(methylamino)butan-2-ol?
The InChIKey is CLTUSSCLAPSXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-11(14,8-13-2)9-4-6-10(12)7-5-9/h4-7,13-14H,3,8H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(methylamino)butan-2-ol?
2-(4-bromophenyl)-1-(methylamino)butan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(methylamino)butan-2-ol is sourced from PubChem (CID 62773006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).