4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine

C22H24N2O2 — CID 70476118

IUPAC4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H24N2O2/c1-23(2)17-5-7-18(8-6-17)24(19-9-13-21(25-3)14-10-19)20-11-15-22(26-4)16-12-20/h5-16H,1-4H3
InChIKeyURZXZXCXQKBCJM-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.24
Rot. Bonds6

About 4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine

4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 70476118) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID70476118
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H24N2O2/c1-23(2)17-5-7-18(8-6-17)24(19-9-13-21(25-3)14-10-19)20-11-15-22(26-4)16-12-20/h5-16H,1-4H3
InChIKeyURZXZXCXQKBCJM-UHFFFAOYSA-N
XLogP5.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
4-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-N,N-dimethylaniline
CID 23265035
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
2,2-bis[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)acetonitrile
CID 100984975
1-(4-methoxyphenyl)-1,2,2-trimethylhydrazine
CID 130402433

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine (CID 70476118) is 4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is URZXZXCXQKBCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-23(2)17-5-7-18(8-6-17)24(19-9-13-21(25-3)14-10-19)20-11-15-22(26-4)16-12-20/h5-16H,1-4H3.
What are the key properties of 4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 70476118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).