3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline

C21H21NO2 — CID 23399554

IUPAC3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
SMILESCOc1cccc(N(c2ccc(C)cc2)c2cccc(OC)c2)c1
InChIInChI=1S/C21H21NO2/c1-16-10-12-17(13-11-16)22(18-6-4-8-20(14-18)23-2)19-7-5-9-21(15-19)24-3/h4-15H,1-3H3
InChIKeyXVXGZHUUHRFJMK-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.48
Rot. Bonds5

About 3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline

3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline (PubChem CID 23399554) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
PubChem CID23399554
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
SMILESCOc1cccc(N(c2ccc(C)cc2)c2cccc(OC)c2)c1
InChIInChI=1S/C21H21NO2/c1-16-10-12-17(13-11-16)22(18-6-4-8-20(14-18)23-2)19-7-5-9-21(15-19)24-3/h4-15H,1-3H3
InChIKeyXVXGZHUUHRFJMK-UHFFFAOYSA-N
XLogP5.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide
CID 158446549
N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline
CID 160641057
3-methoxy-N-[4-[2-[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]ethynyl]phenyl]-N-(3-methoxyphenyl)aniline
CID 18996817
N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline
CID 58939356
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide
CID 20815017
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline?
The IUPAC name of 3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline (CID 23399554) is 3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline.
What is the SMILES notation for 3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline?
The canonical SMILES for 3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline is COc1cccc(N(c2ccc(C)cc2)c2cccc(OC)c2)c1.
What is the InChIKey of 3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline?
The InChIKey is XVXGZHUUHRFJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-16-10-12-17(13-11-16)22(18-6-4-8-20(14-18)23-2)19-7-5-9-21(15-19)24-3/h4-15H,1-3H3.
What are the key properties of 3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline?
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline has a molecular weight of 319.40 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline is sourced from PubChem (CID 23399554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).