2,3,4,5-tetramethoxy-N,N-diphenylaniline

C22H23NO4 — CID 18996720

IUPAC2,3,4,5-tetramethoxy-N,N-diphenylaniline
SMILESCOc1cc(N(c2ccccc2)c2ccccc2)c(OC)c(OC)c1OC
InChIInChI=1S/C22H23NO4/c1-24-19-15-18(20(25-2)22(27-4)21(19)26-3)23(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3
InChIKeyLYIVEJFRDZEYKC-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.19
Rot. Bonds7

About 2,3,4,5-tetramethoxy-N,N-diphenylaniline

2,3,4,5-tetramethoxy-N,N-diphenylaniline (PubChem CID 18996720) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2,3,4,5-tetramethoxy-N,N-diphenylaniline.

Molecular Properties

Compound Name2,3,4,5-tetramethoxy-N,N-diphenylaniline
PubChem CID18996720
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2,3,4,5-tetramethoxy-N,N-diphenylaniline
SMILESCOc1cc(N(c2ccccc2)c2ccccc2)c(OC)c(OC)c1OC
InChIInChI=1S/C22H23NO4/c1-24-19-15-18(20(25-2)22(27-4)21(19)26-3)23(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3
InChIKeyLYIVEJFRDZEYKC-UHFFFAOYSA-N
XLogP5.19
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetraphenylpyrene-1,3-diamine
CID 130181721
ethane;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 91063235
5-N-[3,7-dimethyl-5-(N-phenylanilino)naphthalen-1-yl]-3,7-dimethyl-1-N,1-N,5-N-triphenylnaphthalene-1,5-diamine
CID 20754054
5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline
CID 82183962
2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline
CID 14533990
1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
CID 174438503
2-methoxy-N,N-bis(4-methoxyphenyl)aniline
CID 54235747
N,N-diphenylaniline;silane
CID 131739129
2,4-dimethoxy-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76816285
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
3,4,5-trimethoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)aniline
CID 122432871
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethoxy-N,N-diphenylaniline?
The IUPAC name of 2,3,4,5-tetramethoxy-N,N-diphenylaniline (CID 18996720) is 2,3,4,5-tetramethoxy-N,N-diphenylaniline.
What is the SMILES notation for 2,3,4,5-tetramethoxy-N,N-diphenylaniline?
The canonical SMILES for 2,3,4,5-tetramethoxy-N,N-diphenylaniline is COc1cc(N(c2ccccc2)c2ccccc2)c(OC)c(OC)c1OC.
What is the InChIKey of 2,3,4,5-tetramethoxy-N,N-diphenylaniline?
The InChIKey is LYIVEJFRDZEYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-24-19-15-18(20(25-2)22(27-4)21(19)26-3)23(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3.
What are the key properties of 2,3,4,5-tetramethoxy-N,N-diphenylaniline?
2,3,4,5-tetramethoxy-N,N-diphenylaniline has a molecular weight of 365.43 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethoxy-N,N-diphenylaniline is sourced from PubChem (CID 18996720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).