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

C22H24N2O2 — CID 21148418

IUPAC2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine
SMILESCOc1cc(CC(N)c2cccnc2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C22H24N2O2/c1-16-5-3-6-18(11-16)15-26-21-9-8-17(13-22(21)25-2)12-20(23)19-7-4-10-24-14-19/h3-11,13-14,20H,12,15,23H2,1-2H3
InChIKeyKWWWVMHAVXBONN-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.22
Rot. Bonds7

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

2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine (PubChem CID 21148418) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine
PubChem CID21148418
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine
SMILESCOc1cc(CC(N)c2cccnc2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C22H24N2O2/c1-16-5-3-6-18(11-16)15-26-21-9-8-17(13-22(21)25-2)12-20(23)19-7-4-10-24-14-19/h3-11,13-14,20H,12,15,23H2,1-2H3
InChIKeyKWWWVMHAVXBONN-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

2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine
CID 21156761
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
1-(4-methoxy-3-methylphenyl)-2-pyridin-3-ylethanamine
CID 104736678
[2-(3-methylphenyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196124
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
2-(3,4-dimethoxyphenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 60924306
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102878176

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine?
The IUPAC name of 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine (CID 21148418) is 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine is COc1cc(CC(N)c2cccnc2)ccc1OCc1cccc(C)c1.
What is the InChIKey of 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine?
The InChIKey is KWWWVMHAVXBONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-5-3-6-18(11-16)15-26-21-9-8-17(13-22(21)25-2)12-20(23)19-7-4-10-24-14-19/h3-11,13-14,20H,12,15,23H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine?
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-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-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 21148418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).