N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

C26H32N2O2 — CID 127044817

IUPACN-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCOc1cccc(CN(C)Cc2ccc(CN(C)Cc3cccc(OC)c3)cc2)c1
InChIInChI=1S/C26H32N2O2/c1-27(19-23-7-5-9-25(15-23)29-3)17-21-11-13-22(14-12-21)18-28(2)20-24-8-6-10-26(16-24)30-4/h5-16H,17-20H2,1-4H3
InChIKeyXQKJYZHCSVEHRA-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.97
Rot. Bonds10

About N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (PubChem CID 127044817) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
PubChem CID127044817
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCOc1cccc(CN(C)Cc2ccc(CN(C)Cc3cccc(OC)c3)cc2)c1
InChIInChI=1S/C26H32N2O2/c1-27(19-23-7-5-9-25(15-23)29-3)17-21-11-13-22(14-12-21)18-28(2)20-24-8-6-10-26(16-24)30-4/h5-16H,17-20H2,1-4H3
InChIKeyXQKJYZHCSVEHRA-UHFFFAOYSA-N
XLogP4.97
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (CID 127044817) is N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is COc1cccc(CN(C)Cc2ccc(CN(C)Cc3cccc(OC)c3)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The InChIKey is XQKJYZHCSVEHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-27(19-23-7-5-9-25(15-23)29-3)17-21-11-13-22(14-12-21)18-28(2)20-24-8-6-10-26(16-24)30-4/h5-16H,17-20H2,1-4H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine has a molecular weight of 404.55 g/mol, XLogP of 4.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 127044817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).