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

C23H26FN2O2+ — CID 137349329

IUPAC[4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium
SMILESCOc1cccc(-c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2F)c1
InChIInChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3/p+1
InChIKeyVDMBGVBPYJVMMO-UHFFFAOYSA-O
MW381.47 g/mol
LogP3.90
Rot. Bonds7

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

[4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium (PubChem CID 137349329) has the molecular formula C23H26FN2O2+ and a molecular weight of 381.47 g/mol. Its IUPAC name is [4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium
PubChem CID137349329
Molecular FormulaC23H26FN2O2+
Molecular Weight381.47 g/mol
Exact Mass381.20
IUPAC Name[4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium
SMILESCOc1cccc(-c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2F)c1
InChIInChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3/p+1
InChIKeyVDMBGVBPYJVMMO-UHFFFAOYSA-O
XLogP3.90
TPSA34.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium (CID 137349329) is [4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium is COc1cccc(-c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2F)c1.
What is the InChIKey of [4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium?
The InChIKey is VDMBGVBPYJVMMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3/p+1.
What are the key properties of [4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium?
[4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium has a molecular weight of 381.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-fluoro-2-methoxy-4-(3-methoxyphenyl)anilino]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 137349329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).