2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol

C11H15BrFNO — CID 28724862

IUPAC2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-11(2,7-15)14-6-8-5-9(12)3-4-10(8)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyRMUOAWXTRUKJPR-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.45
Rot. Bonds4

About 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol

2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 28724862) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
PubChem CID28724862
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-11(2,7-15)14-6-8-5-9(12)3-4-10(8)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyRMUOAWXTRUKJPR-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17289552
1-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222290
3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 62816209
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
CID 4715466
[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
CID 112706584
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
3-[(4-bromo-2-fluorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911918
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 115762196
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol (CID 28724862) is 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is RMUOAWXTRUKJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-11(2,7-15)14-6-8-5-9(12)3-4-10(8)13/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol?
2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 276.15 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 28724862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).