1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol

C12H19BrN2O — CID 106876362

IUPAC1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nccc(C)c1Br
InChIInChI=1S/C12H19BrN2O/c1-5-15(8-12(3,4)16)11-10(13)9(2)6-7-14-11/h6-7,16H,5,8H2,1-4H3
InChIKeyGCVMJOQZTXNAFN-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.75
Rot. Bonds4

About 1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol

1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 106876362) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
PubChem CID106876362
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nccc(C)c1Br
InChIInChI=1S/C12H19BrN2O/c1-5-15(8-12(3,4)16)11-10(13)9(2)6-7-14-11/h6-7,16H,5,8H2,1-4H3
InChIKeyGCVMJOQZTXNAFN-UHFFFAOYSA-N
XLogP2.75
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine
CID 106879048
1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 78995484
ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386492
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine
CID 106877136
methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386110
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106875251
3-bromo-N-(2-chloroethyl)-4-methyl-N-propylpyridin-2-amine
CID 106878874
2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
CID 106879187
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
1-[ethyl-(3-methylquinolin-2-yl)amino]-2-methylpropan-2-ol
CID 79390559

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol (CID 106876362) is 1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nccc(C)c1Br.
What is the InChIKey of 1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is GCVMJOQZTXNAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-5-15(8-12(3,4)16)11-10(13)9(2)6-7-14-11/h6-7,16H,5,8H2,1-4H3.
What are the key properties of 1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 106876362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).