1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol

C15H18N2O2 — CID 2922045

IUPAC1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol
SMILESCc1cccnc1NCC(O)COc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-12-6-5-9-16-15(12)17-10-13(18)11-19-14-7-3-2-4-8-14/h2-9,13,18H,10-11H2,1H3,(H,16,17)
InChIKeyXKXHTDOIHWMRKD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.24
Rot. Bonds6

About 1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol

1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol (PubChem CID 2922045) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol
PubChem CID2922045
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol
SMILESCc1cccnc1NCC(O)COc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-12-6-5-9-16-15(12)17-10-13(18)11-19-14-7-3-2-4-8-14/h2-9,13,18H,10-11H2,1H3,(H,16,17)
InChIKeyXKXHTDOIHWMRKD-UHFFFAOYSA-N
XLogP2.24
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol (CID 2922045) is 1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol is Cc1cccnc1NCC(O)COc1ccccc1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is XKXHTDOIHWMRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12-6-5-9-16-15(12)17-10-13(18)11-19-14-7-3-2-4-8-14/h2-9,13,18H,10-11H2,1H3,(H,16,17).
What are the key properties of 1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol?
1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 258.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 2922045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).