1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine

C25H31N3O2 — CID 127045438

IUPAC1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
SMILESCOc1cccc(CN(C)Cc2ccc(CN(C)Cc3cccc(OC)c3)nc2)c1
InChIInChI=1S/C25H31N3O2/c1-27(16-20-7-5-9-24(13-20)29-3)18-22-11-12-23(26-15-22)19-28(2)17-21-8-6-10-25(14-21)30-4/h5-15H,16-19H2,1-4H3
InChIKeyZQAKCZSKKZUMQH-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.36
Rot. Bonds10

About 1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine

1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine (PubChem CID 127045438) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
PubChem CID127045438
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
SMILESCOc1cccc(CN(C)Cc2ccc(CN(C)Cc3cccc(OC)c3)nc2)c1
InChIInChI=1S/C25H31N3O2/c1-27(16-20-7-5-9-24(13-20)29-3)18-22-11-12-23(26-15-22)19-28(2)17-21-8-6-10-25(14-21)30-4/h5-15H,16-19H2,1-4H3
InChIKeyZQAKCZSKKZUMQH-UHFFFAOYSA-N
XLogP4.36
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine (CID 127045438) is 1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine is COc1cccc(CN(C)Cc2ccc(CN(C)Cc3cccc(OC)c3)nc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
The InChIKey is ZQAKCZSKKZUMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-27(16-20-7-5-9-24(13-20)29-3)18-22-11-12-23(26-15-22)19-28(2)17-21-8-6-10-25(14-21)30-4/h5-15H,16-19H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine has a molecular weight of 405.54 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine is sourced from PubChem (CID 127045438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).