1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine

C18H24N2O2 — CID 123641873

IUPAC1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1COc1ccccc1CNC
InChIInChI=1S/C18H24N2O2/c1-19-11-14-6-4-5-7-18(14)22-13-15-8-9-17(21-3)10-16(15)12-20-2/h4-10,19-20H,11-13H2,1-3H3
InChIKeyKIJRNWMYXSXFAU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.71
Rot. Bonds8

About 1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine

1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine (PubChem CID 123641873) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine
PubChem CID123641873
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1COc1ccccc1CNC
InChIInChI=1S/C18H24N2O2/c1-19-11-14-6-4-5-7-18(14)22-13-15-8-9-17(21-3)10-16(15)12-20-2/h4-10,19-20H,11-13H2,1-3H3
InChIKeyKIJRNWMYXSXFAU-UHFFFAOYSA-N
XLogP2.71
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880406
1-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880037
1-[2-[(3-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62453866
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
1-[5-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876048
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 61028878
1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 65321998
1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880600
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine (CID 123641873) is 1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine is CNCc1cc(OC)ccc1COc1ccccc1CNC.
What is the InChIKey of 1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine?
The InChIKey is KIJRNWMYXSXFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19-11-14-6-4-5-7-18(14)22-13-15-8-9-17(21-3)10-16(15)12-20-2/h4-10,19-20H,11-13H2,1-3H3.
What are the key properties of 1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine?
1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine has a molecular weight of 300.40 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 123641873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).