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

C13H20BrNO — CID 115882400

IUPAC2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCc1ccc(CN(C)C(C)(C)CO)c(Br)c1
InChIInChI=1S/C13H20BrNO/c1-10-5-6-11(12(14)7-10)8-15(4)13(2,3)9-16/h5-7,16H,8-9H2,1-4H3
InChIKeyDFAOLUHQUBHCLC-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.96
Rot. Bonds4

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

2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115882400) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115882400
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCc1ccc(CN(C)C(C)(C)CO)c(Br)c1
InChIInChI=1S/C13H20BrNO/c1-10-5-6-11(12(14)7-10)8-15(4)13(2,3)9-16/h5-7,16H,8-9H2,1-4H3
InChIKeyDFAOLUHQUBHCLC-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-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882426
2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882380
3-bromo-4-[[methyl(2-methylbutan-2-yl)amino]methyl]aniline
CID 63983056
2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132012
2-[(2-bromo-4-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115880081
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134117
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133466
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133504
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
CID 113475389
1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 84589778
2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol
CID 115133229

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol (CID 115882400) is 2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol is Cc1ccc(CN(C)C(C)(C)CO)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is DFAOLUHQUBHCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-10-5-6-11(12(14)7-10)8-15(4)13(2,3)9-16/h5-7,16H,8-9H2,1-4H3.
What are the key properties of 2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
2-[(2-bromo-4-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-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115882400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).