2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine

C15H18N2O2 — CID 22300049

IUPAC2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine
SMILESCOc1ccc(OC)c(CC(N)c2cccnc2)c1
InChIInChI=1S/C15H18N2O2/c1-18-13-5-6-15(19-2)12(8-13)9-14(16)11-4-3-7-17-10-11/h3-8,10,14H,9,16H2,1-2H3
InChIKeyGBRFTLUJAYLUFZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.34
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine

2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine (PubChem CID 22300049) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine
PubChem CID22300049
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine
SMILESCOc1ccc(OC)c(CC(N)c2cccnc2)c1
InChIInChI=1S/C15H18N2O2/c1-18-13-5-6-15(19-2)12(8-13)9-14(16)11-4-3-7-17-10-11/h3-8,10,14H,9,16H2,1-2H3
InChIKeyGBRFTLUJAYLUFZ-UHFFFAOYSA-N
XLogP2.34
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299211
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine
CID 102923378
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
1-(4-methoxy-3-methylphenyl)-2-pyridin-3-ylethanamine
CID 104736678
4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28656129
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine
CID 21148418
1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine
CID 105034619
2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine
CID 21156761
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
2-(2,5-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 65321274

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine (CID 22300049) is 2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine is COc1ccc(OC)c(CC(N)c2cccnc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine?
The InChIKey is GBRFTLUJAYLUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-13-5-6-15(19-2)12(8-13)9-14(16)11-4-3-7-17-10-11/h3-8,10,14H,9,16H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine?
2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine has a molecular weight of 258.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 22300049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).