2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine

C17H22N2O — CID 105026038

IUPAC2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1cncc(OC)c1
InChIInChI=1S/C17H22N2O/c1-12-5-6-13(2)14(7-12)9-17(18-3)15-8-16(20-4)11-19-10-15/h5-8,10-11,17-18H,9H2,1-4H3
InChIKeyWRKJYUBRYVYPJB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.21
Rot. Bonds5

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

2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine (PubChem CID 105026038) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
PubChem CID105026038
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1cncc(OC)c1
InChIInChI=1S/C17H22N2O/c1-12-5-6-13(2)14(7-12)9-17(18-3)15-8-16(20-4)11-19-10-15/h5-8,10-11,17-18H,9H2,1-4H3
InChIKeyWRKJYUBRYVYPJB-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026220
1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63526772
2-(2,5-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 65298907
(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025888
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025878
[1-(5-methoxy-3-pyridinyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105209069
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
CID 63543209
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 61481786
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-methylpropan-1-amine
CID 105025992
2-(2,5-dimethylphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63989159
1-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826763

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine (CID 105026038) is 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1C)c1cncc(OC)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine?
The InChIKey is WRKJYUBRYVYPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-5-6-13(2)14(7-12)9-17(18-3)15-8-16(20-4)11-19-10-15/h5-8,10-11,17-18H,9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine?
2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.21, 5 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)-N-methylethanamine is sourced from PubChem (CID 105026038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).