1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol

C11H16BrNO — CID 116957168

IUPAC1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(Br)cc1)C(C)(C)O
InChIInChI=1S/C11H16BrNO/c1-11(2,14)10(13-3)8-4-6-9(12)7-5-8/h4-7,10,13-14H,1-3H3
InChIKeyOUFIWBSSNAHZDA-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.48
Rot. Bonds3

About 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol

1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol (PubChem CID 116957168) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol
PubChem CID116957168
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(Br)cc1)C(C)(C)O
InChIInChI=1S/C11H16BrNO/c1-11(2,14)10(13-3)8-4-6-9(12)7-5-8/h4-7,10,13-14H,1-3H3
InChIKeyOUFIWBSSNAHZDA-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-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

Related Compounds

2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol
CID 116957246
4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol
CID 83693483
1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43488631
1-(4-bromophenyl)-2-methylpropane-1,2-diol;2-methyl-1-phenylpropane-1,2-diol
CID 160734659
1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 63508774
1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol
CID 90913483
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474094
1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43488624
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol (CID 116957168) is 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol is CNC(c1ccc(Br)cc1)C(C)(C)O.
What is the InChIKey of 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol?
The InChIKey is OUFIWBSSNAHZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,14)10(13-3)8-4-6-9(12)7-5-8/h4-7,10,13-14H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol?
1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol is sourced from PubChem (CID 116957168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).