1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine

C17H22N2O — CID 105179118

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
SMILESCOc1cc(C)c(C(N)CCc2ccccn2)cc1C
InChIInChI=1S/C17H22N2O/c1-12-11-17(20-3)13(2)10-15(12)16(18)8-7-14-6-4-5-9-19-14/h4-6,9-11,16H,7-8,18H2,1-3H3
InChIKeyIEZUGQSDQUQXLB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.34
Rot. Bonds5

About 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine

1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 105179118) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
PubChem CID105179118
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
SMILESCOc1cc(C)c(C(N)CCc2ccccn2)cc1C
InChIInChI=1S/C17H22N2O/c1-12-11-17(20-3)13(2)10-15(12)16(18)8-7-14-6-4-5-9-19-14/h4-6,9-11,16H,7-8,18H2,1-3H3
InChIKeyIEZUGQSDQUQXLB-UHFFFAOYSA-N
XLogP3.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105124333
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 105099874
2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 43121506
[1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-2-ylpropyl]hydrazine
CID 106682947
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propane-1-thiol
CID 116831267
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105176576
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118845
1-(4-ethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105121774
1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
CID 105174650

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine (CID 105179118) is 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine is COc1cc(C)c(C(N)CCc2ccccn2)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is IEZUGQSDQUQXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-11-17(20-3)13(2)10-15(12)16(18)8-7-14-6-4-5-9-19-14/h4-6,9-11,16H,7-8,18H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine?
1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105179118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).