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

C12H18BrNO — CID 84589778

IUPAC1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol
SMILESCc1ccc(CNCC(C)(C)O)c(Br)c1
InChIInChI=1S/C12H18BrNO/c1-9-4-5-10(11(13)6-9)7-14-8-12(2,3)15/h4-6,14-15H,7-8H2,1-3H3
InChIKeyFYPPRWQUXGOUDJ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.62
Rot. Bonds4

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

1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol (PubChem CID 84589778) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol
PubChem CID84589778
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol
SMILESCc1ccc(CNCC(C)(C)O)c(Br)c1
InChIInChI=1S/C12H18BrNO/c1-9-4-5-10(11(13)6-9)7-14-8-12(2,3)15/h4-6,14-15H,7-8H2,1-3H3
InChIKeyFYPPRWQUXGOUDJ-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460661
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106862762
1-[(2-bromophenyl)methylamino]-2-methylpropan-2-ol
CID 61401916
N-[(2-bromo-4-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624998
3-[(2-bromo-4-methylphenyl)methylamino]-3-methylbutan-2-ol
CID 115866691
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183
N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 81109555
2-[(2-bromo-4-methylphenyl)methylamino]propane-1,3-diol
CID 75525246
2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol
CID 115556791
N-[(2-bromo-4-methylphenyl)methyl]pent-3-yn-1-amine
CID 115978395
1-[(3,5-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 63932078
1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838949

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol (CID 84589778) is 1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol is Cc1ccc(CNCC(C)(C)O)c(Br)c1.
What is the InChIKey of 1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol?
The InChIKey is FYPPRWQUXGOUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9-4-5-10(11(13)6-9)7-14-8-12(2,3)15/h4-6,14-15H,7-8H2,1-3H3.
What are the key properties of 1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol?
1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol has a molecular weight of 272.19 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 84589778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).