2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol

C14H15BrN2O — CID 105058658

IUPAC2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C14H15BrN2O/c1-14(10-18,11-5-3-2-4-6-11)17-13-7-12(15)8-16-9-13/h2-9,17-18H,10H2,1H3
InChIKeyUOKBNTYQDJKDOU-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.16
Rot. Bonds4

About 2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol

2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol (PubChem CID 105058658) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
PubChem CID105058658
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C14H15BrN2O/c1-14(10-18,11-5-3-2-4-6-11)17-13-7-12(15)8-16-9-13/h2-9,17-18H,10H2,1H3
InChIKeyUOKBNTYQDJKDOU-UHFFFAOYSA-N
XLogP3.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866453
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
CID 105057762
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol
CID 105057734
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol
CID 105060887
2-(3-methyl-5-nitroanilino)-2-phenylpropan-1-ol
CID 105058448
2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 106875996
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol (CID 105058658) is 2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol is CC(CO)(Nc1cncc(Br)c1)c1ccccc1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol?
The InChIKey is UOKBNTYQDJKDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-14(10-18,11-5-3-2-4-6-11)17-13-7-12(15)8-16-9-13/h2-9,17-18H,10H2,1H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol?
2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol has a molecular weight of 307.19 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 105058658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).