1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine

C26H24N2O — CID 59431755

IUPAC1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
SMILESCOc1cccc(N(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C26H24N2O/c1-27(25-14-9-15-26(20-25)29-2)21-16-18-24(19-17-21)28(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-20H,1-2H3
InChIKeyGSPJNGJBIIOJFR-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.93
Rot. Bonds6

About 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine

1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 59431755) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID59431755
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
SMILESCOc1cccc(N(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C26H24N2O/c1-27(25-14-9-15-26(20-25)29-2)21-16-18-24(19-17-21)28(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-20H,1-2H3
InChIKeyGSPJNGJBIIOJFR-UHFFFAOYSA-N
XLogP6.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine (CID 59431755) is 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine is COc1cccc(N(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is GSPJNGJBIIOJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-27(25-14-9-15-26(20-25)29-2)21-16-18-24(19-17-21)28(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-20H,1-2H3.
What are the key properties of 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine?
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 380.49 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 59431755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).