3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol

C15H18N2O2 — CID 116756787

IUPAC3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1cnccc1N
InChIInChI=1S/C15H18N2O2/c1-19-15(11-5-3-2-4-6-11)14(18)9-12-10-17-8-7-13(12)16/h2-8,10,14-15,18H,9H2,1H3,(H2,16,17)
InChIKeyNNKSVKFJLSFKRL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.95
Rot. Bonds5

About 3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol

3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol (PubChem CID 116756787) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
PubChem CID116756787
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1cnccc1N
InChIInChI=1S/C15H18N2O2/c1-19-15(11-5-3-2-4-6-11)14(18)9-12-10-17-8-7-13(12)16/h2-8,10,14-15,18H,9H2,1H3,(H2,16,17)
InChIKeyNNKSVKFJLSFKRL-UHFFFAOYSA-N
XLogP1.95
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712449
3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid
CID 81009067
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
1-methoxy-1-phenylbutan-2-ol
CID 116756893
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
CID 79617121
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862
3-[2-methoxy-2-phenyl-1-(propylamino)ethyl]pyridin-4-amine
CID 116773275
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one
CID 116751778
3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756762
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol?
The IUPAC name of 3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol (CID 116756787) is 3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol?
The canonical SMILES for 3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol is COC(c1ccccc1)C(O)Cc1cnccc1N.
What is the InChIKey of 3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol?
The InChIKey is NNKSVKFJLSFKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-15(11-5-3-2-4-6-11)14(18)9-12-10-17-8-7-13(12)16/h2-8,10,14-15,18H,9H2,1H3,(H2,16,17).
What are the key properties of 3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol?
3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol has a molecular weight of 258.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol is sourced from PubChem (CID 116756787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).