2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol

C13H20BrNO — CID 115882426

IUPAC2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCc1cc(Br)ccc1CN(C)C(C)(C)CO
InChIInChI=1S/C13H20BrNO/c1-10-7-12(14)6-5-11(10)8-15(4)13(2,3)9-16/h5-7,16H,8-9H2,1-4H3
InChIKeyXSCGMVOSODGMLY-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.96
Rot. Bonds4

About 2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol

2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115882426) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115882426
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCc1cc(Br)ccc1CN(C)C(C)(C)CO
InChIInChI=1S/C13H20BrNO/c1-10-7-12(14)6-5-11(10)8-15(4)13(2,3)9-16/h5-7,16H,8-9H2,1-4H3
InChIKeyXSCGMVOSODGMLY-UHFFFAOYSA-N
XLogP2.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882400
3-[(5-bromo-2-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042440
N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 154754676
2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 86798561
4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol
CID 112621866
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133504
2-[(4-bromo-2-methylphenyl)methyl-methylamino]acetonitrile
CID 84593114
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133466
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
4-bromo-1-(2-iodoethyl)-2-methylbenzene
CID 66577923
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115666846
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol (CID 115882426) is 2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol is Cc1cc(Br)ccc1CN(C)C(C)(C)CO.
What is the InChIKey of 2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is XSCGMVOSODGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-10-7-12(14)6-5-11(10)8-15(4)13(2,3)9-16/h5-7,16H,8-9H2,1-4H3.
What are the key properties of 2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 286.21 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115882426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).