4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine

C20H22N2O — CID 44580869

IUPAC4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine
SMILESCOc1ccc(N(C)c2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C20H22N2O/c1-21(2)19-13-14-20(18-8-6-5-7-17(18)19)22(3)15-9-11-16(23-4)12-10-15/h5-14H,1-4H3
InChIKeyMODMZBWRMXSAGI-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.68
Rot. Bonds4

About 4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine

4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine (PubChem CID 44580869) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine
PubChem CID44580869
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine
SMILESCOc1ccc(N(C)c2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C20H22N2O/c1-21(2)19-13-14-20(18-8-6-5-7-17(18)19)22(3)15-9-11-16(23-4)12-10-15/h5-14H,1-4H3
InChIKeyMODMZBWRMXSAGI-UHFFFAOYSA-N
XLogP4.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine (CID 44580869) is 4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine is COc1ccc(N(C)c2ccc(N(C)C)c3ccccc23)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine?
The InChIKey is MODMZBWRMXSAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-21(2)19-13-14-20(18-8-6-5-7-17(18)19)22(3)15-9-11-16(23-4)12-10-15/h5-14H,1-4H3.
What are the key properties of 4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine?
4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine has a molecular weight of 306.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine is sourced from PubChem (CID 44580869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).