1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol

C13H20Br2N2O — CID 104573831

IUPAC1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1ncc(Br)cc1Br
InChIInChI=1S/C13H20Br2N2O/c1-13(2,3)5-10(18)7-16-8-12-11(15)4-9(14)6-17-12/h4,6,10,16,18H,5,7-8H2,1-3H3
InChIKeySRQBPUMCPPBFJJ-UHFFFAOYSA-N
MW380.12 g/mol
LogP3.49
Rot. Bonds5

About 1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol

1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 104573831) has the molecular formula C13H20Br2N2O and a molecular weight of 380.12 g/mol. Its IUPAC name is 1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol
PubChem CID104573831
Molecular FormulaC13H20Br2N2O
Molecular Weight380.12 g/mol
Exact Mass377.99
IUPAC Name1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1ncc(Br)cc1Br
InChIInChI=1S/C13H20Br2N2O/c1-13(2,3)5-10(18)7-16-8-12-11(15)4-9(14)6-17-12/h4,6,10,16,18H,5,7-8H2,1-3H3
InChIKeySRQBPUMCPPBFJJ-UHFFFAOYSA-N
XLogP3.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propanol, 1-[(2-pyridinylmethyl)amino]-
CID 111406
2-{[(Pyridin-2-yl)methyl]amino}butan-1-ol
CID 4712765
1-[(5-Bromo-3-pyridinyl)amino]pentan-2-ol
CID 71996476
1-[1-(5-bromo-2-pyridinyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 122144859
2-{[(5-Bromopyridin-3-yl)methyl]amino}ethan-1-ol
CID 15541796
2-(5-Bromo-3-fluoro-2-pyridinyl)-2-(2-hydroxyethylamino)ethanol
CID 118484968
1-[(3-Fluoro-2-pyridinyl)methylamino]-3-methylbutan-2-ol
CID 135122746
(2R)-2-[(5-bromo-2-fluoro-3-pyridinyl)methylamino]propan-1-ol
CID 135156561
3-Amino-3-(5-bromo-3-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 156498243
N-[(5-bromo-3-fluoro-2-pyridinyl)methyl]-1-methoxypropan-2-amine
CID 172488501
(2R)-N-[(5-bromo-3-fluoro-2-pyridinyl)methyl]-1-methoxypropan-2-amine
CID 172488699
2-[[1-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethyl]amino]ethanol
CID 176360034

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol (CID 104573831) is 1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCc1ncc(Br)cc1Br.
What is the InChIKey of 1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is SRQBPUMCPPBFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2O/c1-13(2,3)5-10(18)7-16-8-12-11(15)4-9(14)6-17-12/h4,6,10,16,18H,5,7-8H2,1-3H3.
What are the key properties of 1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol?
1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 380.12 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 104573831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).