2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine

C16H20N2O — CID 105026220

IUPAC2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine
SMILESCOc1cncc(C(N)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C16H20N2O/c1-11-4-5-12(2)13(6-11)8-16(17)14-7-15(19-3)10-18-9-14/h4-7,9-10,16H,8,17H2,1-3H3
InChIKeyMXIYKKWJXGNELK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine

2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine (PubChem CID 105026220) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine
PubChem CID105026220
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine
SMILESCOc1cncc(C(N)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C16H20N2O/c1-11-4-5-12(2)13(6-11)8-16(17)14-7-15(19-3)10-18-9-14/h4-7,9-10,16H,8,17H2,1-3H3
InChIKeyMXIYKKWJXGNELK-UHFFFAOYSA-N
XLogP2.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026038
(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025888
1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538840
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
CID 63543209
2-(2,5-dimethylphenyl)-1-naphthalen-2-ylethanamine
CID 63416579
1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105175275
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
[1-(5-methoxy-3-pyridinyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105209069
2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105101119
1-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107503260
(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 114330272

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine (CID 105026220) is 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine is COc1cncc(C(N)Cc2cc(C)ccc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine?
The InChIKey is MXIYKKWJXGNELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-4-5-12(2)13(6-11)8-16(17)14-7-15(19-3)10-18-9-14/h4-7,9-10,16H,8,17H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine?
2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105026220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).