6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine

C25H23NO2 — CID 56698567

IUPAC6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine
SMILESCNc1cc(-c2ccccc2)c(-c2ccccc2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C25H23NO2/c1-26-22-14-19(17-10-6-4-7-11-17)25(18-12-8-5-9-13-18)21-16-24(28-3)23(27-2)15-20(21)22/h4-16,26H,1-3H3
InChIKeyWKCUONJXWDIECH-UHFFFAOYSA-N
MW369.46 g/mol
LogP6.23
Rot. Bonds5

About 6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine

6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine (PubChem CID 56698567) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine
PubChem CID56698567
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine
SMILESCNc1cc(-c2ccccc2)c(-c2ccccc2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C25H23NO2/c1-26-22-14-19(17-10-6-4-7-11-17)25(18-12-8-5-9-13-18)21-16-24(28-3)23(27-2)15-20(21)22/h4-16,26H,1-3H3
InChIKeyWKCUONJXWDIECH-UHFFFAOYSA-N
XLogP6.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
6,7-dimethoxy-N-methylphenanthren-9-amine
CID 15503356
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene
CID 177454119
6,7-dimethoxy-2-phenylnaphthalen-1-amine
CID 11208231
6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
CID 3029075
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
1-(2,3,9,10-tetramethoxy-5,12-diphenylbenzo[a]anthracen-7-yl)ethanone
CID 3392783
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274
2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
CID 173306181

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine?
The IUPAC name of 6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine (CID 56698567) is 6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine.
What is the SMILES notation for 6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine?
The canonical SMILES for 6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine is CNc1cc(-c2ccccc2)c(-c2ccccc2)c2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine?
The InChIKey is WKCUONJXWDIECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-26-22-14-19(17-10-6-4-7-11-17)25(18-12-8-5-9-13-18)21-16-24(28-3)23(27-2)15-20(21)22/h4-16,26H,1-3H3.
What are the key properties of 6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine?
6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine has a molecular weight of 369.46 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine is sourced from PubChem (CID 56698567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).