2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine

C22H24N2O2 — CID 21157681

IUPAC2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine
SMILESCOc1cc(CC(N)c2ccccn2)ccc1OCc1ccccc1C
InChIInChI=1S/C22H24N2O2/c1-16-7-3-4-8-18(16)15-26-21-11-10-17(14-22(21)25-2)13-19(23)20-9-5-6-12-24-20/h3-12,14,19H,13,15,23H2,1-2H3
InChIKeyIXYWVOAVWPWUIX-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.22
Rot. Bonds7

About 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine

2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine (PubChem CID 21157681) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine
PubChem CID21157681
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine
SMILESCOc1cc(CC(N)c2ccccn2)ccc1OCc1ccccc1C
InChIInChI=1S/C22H24N2O2/c1-16-7-3-4-8-18(16)15-26-21-11-10-17(14-22(21)25-2)13-19(23)20-9-5-6-12-24-20/h3-12,14,19H,13,15,23H2,1-2H3
InChIKeyIXYWVOAVWPWUIX-UHFFFAOYSA-N
XLogP4.22
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium
CID 7228263
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210568
(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethanamine
CID 93312466
1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997399
(2R)-2-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727233
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724176
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
2-[2-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294316
N',N'-diethyl-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4719869
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525983
1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4725530

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine?
The IUPAC name of 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine (CID 21157681) is 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine is COc1cc(CC(N)c2ccccn2)ccc1OCc1ccccc1C.
What is the InChIKey of 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine?
The InChIKey is IXYWVOAVWPWUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-7-3-4-8-18(16)15-26-21-11-10-17(14-22(21)25-2)13-19(23)20-9-5-6-12-24-20/h3-12,14,19H,13,15,23H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine?
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine has a molecular weight of 348.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 21157681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).