3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol

C15H18N2O2 — CID 90425937

IUPAC3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol
SMILESCNCC(O)C(Oc1ccccc1)c1ccccn1
InChIInChI=1S/C15H18N2O2/c1-16-11-14(18)15(13-9-5-6-10-17-13)19-12-7-3-2-4-8-12/h2-10,14-16,18H,11H2,1H3
InChIKeyXZSYODGILUNLFQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.78
Rot. Bonds6

About 3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol

3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol (PubChem CID 90425937) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol
PubChem CID90425937
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol
SMILESCNCC(O)C(Oc1ccccc1)c1ccccn1
InChIInChI=1S/C15H18N2O2/c1-16-11-14(18)15(13-9-5-6-10-17-13)19-12-7-3-2-4-8-12/h2-10,14-16,18H,11H2,1H3
InChIKeyXZSYODGILUNLFQ-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol
CID 23458382
1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol
CID 23458426
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448
diethyl 2-(1-ethoxy-2-phenoxy-2-pyridin-2-ylethyl)propanedioate
CID 14652938
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
2-(2-fluorophenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 116824647
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
CID 873676
N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine
CID 55155535
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
N-methyl-2-(3-methylphenyl)-2-pyridin-2-ylethanamine
CID 116824646
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol?
The IUPAC name of 3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol (CID 90425937) is 3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol is CNCC(O)C(Oc1ccccc1)c1ccccn1.
What is the InChIKey of 3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol?
The InChIKey is XZSYODGILUNLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-11-14(18)15(13-9-5-6-10-17-13)19-12-7-3-2-4-8-12/h2-10,14-16,18H,11H2,1H3.
What are the key properties of 3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol?
3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol has a molecular weight of 258.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 90425937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).