4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine

C18H23N3O2 — CID 155113944

IUPAC4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine
SMILESC=C(Nc1ccc(N)c(C)c1)Nc1cc(C)c(OC)c(OC)c1
InChIInChI=1S/C18H23N3O2/c1-11-8-14(6-7-16(11)19)20-13(3)21-15-9-12(2)18(23-5)17(10-15)22-4/h6-10,20-21H,3,19H2,1-2,4-5H3
InChIKeyNAKCHDRZELJRQE-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.90
Rot. Bonds6

About 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine

4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine (PubChem CID 155113944) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine
PubChem CID155113944
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine
SMILESC=C(Nc1ccc(N)c(C)c1)Nc1cc(C)c(OC)c(OC)c1
InChIInChI=1S/C18H23N3O2/c1-11-8-14(6-7-16(11)19)20-13(3)21-15-9-12(2)18(23-5)17(10-15)22-4/h6-10,20-21H,3,19H2,1-2,4-5H3
InChIKeyNAKCHDRZELJRQE-UHFFFAOYSA-N
XLogP3.90
TPSA68.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155114034
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651
2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
CID 62510394
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 28723700
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
CID 103017832
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide
CID 134123045
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526
2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide
CID 108866717
N-(4-amino-3-methoxyphenyl)but-3-enamide
CID 62677990

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine (CID 155113944) is 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine is C=C(Nc1ccc(N)c(C)c1)Nc1cc(C)c(OC)c(OC)c1.
What is the InChIKey of 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine?
The InChIKey is NAKCHDRZELJRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11-8-14(6-7-16(11)19)20-13(3)21-15-9-12(2)18(23-5)17(10-15)22-4/h6-10,20-21H,3,19H2,1-2,4-5H3.
What are the key properties of 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine?
4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine has a molecular weight of 313.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3,4-dimethoxy-5-methylanilino)ethenyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 155113944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).