3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline

C21H21NO3 — CID 101074592

IUPAC3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
SMILESCOc1ccc(N(c2ccccc2)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C21H21NO3/c1-23-19-11-9-17(10-12-19)22(16-7-5-4-6-8-16)18-13-20(24-2)15-21(14-18)25-3/h4-15H,1-3H3
InChIKeyJRKJBDJDIHVGBX-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.18
Rot. Bonds6

About 3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline

3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline (PubChem CID 101074592) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
PubChem CID101074592
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
SMILESCOc1ccc(N(c2ccccc2)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C21H21NO3/c1-23-19-11-9-17(10-12-19)22(16-7-5-4-6-8-16)18-13-20(24-2)15-21(14-18)25-3/h4-15H,1-3H3
InChIKeyJRKJBDJDIHVGBX-UHFFFAOYSA-N
XLogP5.18
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline
CID 101074590
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
6-N,16-N-bis(4-methoxyphenyl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032295
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline
CID 18996812
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline?
The IUPAC name of 3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline (CID 101074592) is 3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline.
What is the SMILES notation for 3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline?
The canonical SMILES for 3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline is COc1ccc(N(c2ccccc2)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline?
The InChIKey is JRKJBDJDIHVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-23-19-11-9-17(10-12-19)22(16-7-5-4-6-8-16)18-13-20(24-2)15-21(14-18)25-3/h4-15H,1-3H3.
What are the key properties of 3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline?
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline has a molecular weight of 335.40 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline is sourced from PubChem (CID 101074592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).