[4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium

C23H27N2O2+ — CID 137349328

IUPAC[4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium
SMILESCOc1cccc(-c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2)c1
InChIInChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3/p+1
InChIKeySVFQGOYYBWCBTN-UHFFFAOYSA-O
MW363.48 g/mol
LogP3.76
Rot. Bonds7

About [4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium

[4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium (PubChem CID 137349328) has the molecular formula C23H27N2O2+ and a molecular weight of 363.48 g/mol. Its IUPAC name is [4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium
PubChem CID137349328
Molecular FormulaC23H27N2O2+
Molecular Weight363.48 g/mol
Exact Mass363.21
IUPAC Name[4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium
SMILESCOc1cccc(-c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2)c1
InChIInChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3/p+1
InChIKeySVFQGOYYBWCBTN-UHFFFAOYSA-O
XLogP3.76
TPSA34.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium (CID 137349328) is [4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium is COc1cccc(-c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2)c1.
What is the InChIKey of [4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium?
The InChIKey is SVFQGOYYBWCBTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3/p+1.
What are the key properties of [4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium?
[4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium has a molecular weight of 363.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 137349328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).