2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol

C15H17BrN2O — CID 105057817

IUPAC2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol
SMILESCC(CO)(NCc1cccc(Br)n1)c1ccccc1
InChIInChI=1S/C15H17BrN2O/c1-15(11-19,12-6-3-2-4-7-12)17-10-13-8-5-9-14(16)18-13/h2-9,17,19H,10-11H2,1H3
InChIKeyBHKXQBHMAYPBTB-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.84
Rot. Bonds5

About 2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol

2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol (PubChem CID 105057817) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol
PubChem CID105057817
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol
SMILESCC(CO)(NCc1cccc(Br)n1)c1ccccc1
InChIInChI=1S/C15H17BrN2O/c1-15(11-19,12-6-3-2-4-7-12)17-10-13-8-5-9-14(16)18-13/h2-9,17,19H,10-11H2,1H3
InChIKeyBHKXQBHMAYPBTB-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol
CID 103399455
2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
CID 115630532
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-bromo-4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]phenol
CID 105057826
2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol
CID 106263794
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113234125
(6-bromo-2-pyridinyl)methylcarbamic acid
CID 87415721
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol
CID 115630511

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol (CID 105057817) is 2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol is CC(CO)(NCc1cccc(Br)n1)c1ccccc1.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol?
The InChIKey is BHKXQBHMAYPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-15(11-19,12-6-3-2-4-7-12)17-10-13-8-5-9-14(16)18-13/h2-9,17,19H,10-11H2,1H3.
What are the key properties of 2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol?
2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol has a molecular weight of 321.22 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 105057817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).