6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine

C22H25N3O2 — CID 151327582

IUPAC6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine
SMILESCNc1ccc(OCc2cccc(-c3cccc(CN)c3C)c2)nc1OC
InChIInChI=1S/C22H25N3O2/c1-15-18(13-23)8-5-9-19(15)17-7-4-6-16(12-17)14-27-21-11-10-20(24-2)22(25-21)26-3/h4-12,24H,13-14,23H2,1-3H3
InChIKeyOHTOZWKLNWIZOO-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.15
Rot. Bonds7

About 6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine

6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine (PubChem CID 151327582) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine
PubChem CID151327582
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine
SMILESCNc1ccc(OCc2cccc(-c3cccc(CN)c3C)c2)nc1OC
InChIInChI=1S/C22H25N3O2/c1-15-18(13-23)8-5-9-19(15)17-7-4-6-16(12-17)14-27-21-11-10-20(24-2)22(25-21)26-3/h4-12,24H,13-14,23H2,1-3H3
InChIKeyOHTOZWKLNWIZOO-UHFFFAOYSA-N
XLogP4.15
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine?
The IUPAC name of 6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine (CID 151327582) is 6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine.
What is the SMILES notation for 6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine?
The canonical SMILES for 6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine is CNc1ccc(OCc2cccc(-c3cccc(CN)c3C)c2)nc1OC.
What is the InChIKey of 6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine?
The InChIKey is OHTOZWKLNWIZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-18(13-23)8-5-9-19(15)17-7-4-6-16(12-17)14-27-21-11-10-20(24-2)22(25-21)26-3/h4-12,24H,13-14,23H2,1-3H3.
What are the key properties of 6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine?
6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine has a molecular weight of 363.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[3-(aminomethyl)-2-methylphenyl]phenyl]methoxy]-2-methoxy-N-methylpyridin-3-amine is sourced from PubChem (CID 151327582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).