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

C14H15BrN2O — CID 63260770

IUPAC2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2O/c15-12-6-7-14(16-9-12)17-13(10-18)8-11-4-2-1-3-5-11/h1-7,9,13,18H,8,10H2,(H,16,17)
InChIKeyUAOOZWFUNRRFJQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.86
Rot. Bonds5

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

2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol (PubChem CID 63260770) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
PubChem CID63260770
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2O/c15-12-6-7-14(16-9-12)17-13(10-18)8-11-4-2-1-3-5-11/h1-7,9,13,18H,8,10H2,(H,16,17)
InChIKeyUAOOZWFUNRRFJQ-UHFFFAOYSA-N
XLogP2.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine
CID 65029483
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 107874683
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
6-[(1-hydroxy-3-phenylpropan-2-yl)amino]pyridine-3-carboxamide
CID 78998923
2-(4-bromoanilino)-3-phenylpropan-1-ol
CID 61049860
2-[(4-amino-5-methyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 83265448
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80830612
(2R,4S)-4-[(5-bromo-2-pyridinyl)amino]-2-methylhexan-1-ol
CID 97025562
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol (CID 63260770) is 2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol is OCC(Cc1ccccc1)Nc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The InChIKey is UAOOZWFUNRRFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-12-6-7-14(16-9-12)17-13(10-18)8-11-4-2-1-3-5-11/h1-7,9,13,18H,8,10H2,(H,16,17).
What are the key properties of 2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol?
2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol has a molecular weight of 307.19 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63260770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).