2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol

C12H18BrNO — CID 117432962

IUPAC2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol
SMILESCN(C)c1ccc(C(C)(C)CO)cc1Br
InChIInChI=1S/C12H18BrNO/c1-12(2,8-15)9-5-6-11(14(3)4)10(13)7-9/h5-7,15H,8H2,1-4H3
InChIKeyJVWQETDIIWVEBV-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.79
Rot. Bonds3

About 2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol

2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol (PubChem CID 117432962) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol
PubChem CID117432962
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol
SMILESCN(C)c1ccc(C(C)(C)CO)cc1Br
InChIInChI=1S/C12H18BrNO/c1-12(2,8-15)9-5-6-11(14(3)4)10(13)7-9/h5-7,15H,8H2,1-4H3
InChIKeyJVWQETDIIWVEBV-UHFFFAOYSA-N
XLogP2.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol
CID 117113672
2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
CID 117369445
2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol
CID 117482119
2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
CID 117113714
2-(3,4-diaminophenyl)-2-methylpropan-1-ol
CID 144721361
2-[4-[2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-yl]phenyl]-2-methylpropan-1-ol
CID 14440449
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
bis[3-bromo-4-(dimethylamino)phenyl]methanol
CID 68533578
2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
CID 117113719
2-(3,4-diethylphenyl)-2-methylpropan-1-ol
CID 117295283
1-[3-bromo-4-(dimethylamino)phenyl]ethanone
CID 62908287

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol (CID 117432962) is 2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol is CN(C)c1ccc(C(C)(C)CO)cc1Br.
What is the InChIKey of 2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol?
The InChIKey is JVWQETDIIWVEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-12(2,8-15)9-5-6-11(14(3)4)10(13)7-9/h5-7,15H,8H2,1-4H3.
What are the key properties of 2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol?
2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117432962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).