1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine

C16H20N2O2 — CID 66446566

IUPAC1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCOc1cccc(OC)c1C(N)C(C)c1ccncc1
InChIInChI=1S/C16H20N2O2/c1-11(12-7-9-18-10-8-12)16(17)15-13(19-2)5-4-6-14(15)20-3/h4-11,16H,17H2,1-3H3
InChIKeyHSJQTKQILDADPX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.90
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine

1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 66446566) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine
PubChem CID66446566
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCOc1cccc(OC)c1C(N)C(C)c1ccncc1
InChIInChI=1S/C16H20N2O2/c1-11(12-7-9-18-10-8-12)16(17)15-13(19-2)5-4-6-14(15)20-3/h4-11,16H,17H2,1-3H3
InChIKeyHSJQTKQILDADPX-UHFFFAOYSA-N
XLogP2.90
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446948
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448703
1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447741
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine
CID 66460366
1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine
CID 66448702
N-[(2,6-dimethoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 116810303
1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448707
[(2-methoxyphenyl)-pyridin-4-ylmethyl]hydrazine
CID 105196350
1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447347

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine (CID 66446566) is 1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine is COc1cccc(OC)c1C(N)C(C)c1ccncc1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is HSJQTKQILDADPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(12-7-9-18-10-8-12)16(17)15-13(19-2)5-4-6-14(15)20-3/h4-11,16H,17H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine?
1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66446566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).