2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol

C15H17BrN2O — CID 106875996

IUPAC2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
SMILESCc1ccnc(NC(C)(CO)c2ccccc2)c1Br
InChIInChI=1S/C15H17BrN2O/c1-11-8-9-17-14(13(11)16)18-15(2,10-19)12-6-4-3-5-7-12/h3-9,19H,10H2,1-2H3,(H,17,18)
InChIKeyVKYXUSAXRKKNFB-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.47
Rot. Bonds4

About 2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol

2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol (PubChem CID 106875996) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
PubChem CID106875996
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
SMILESCc1ccnc(NC(C)(CO)c2ccccc2)c1Br
InChIInChI=1S/C15H17BrN2O/c1-11-8-9-17-14(13(11)16)18-15(2,10-19)12-6-4-3-5-7-12/h3-9,19H,10H2,1-2H3,(H,17,18)
InChIKeyVKYXUSAXRKKNFB-UHFFFAOYSA-N
XLogP3.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol
CID 105058581
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol
CID 105060887
3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329769
2-phenyl-2-(quinolin-4-ylamino)propan-1-ol
CID 105058459
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 102686736
2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105058672
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
CID 105058534
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060879
4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 106876006
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
3-bromo-N-(3-chloro-2-methylbutan-2-yl)-4-methylpyridin-2-amine
CID 106879063

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol (CID 106875996) is 2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol is Cc1ccnc(NC(C)(CO)c2ccccc2)c1Br.
What is the InChIKey of 2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol?
The InChIKey is VKYXUSAXRKKNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-8-9-17-14(13(11)16)18-15(2,10-19)12-6-4-3-5-7-12/h3-9,19H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol?
2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol has a molecular weight of 321.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 106875996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).