1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine

C19H24N2O3 — CID 122182330

IUPAC1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
SMILESC=C(c1ccc(N(C)C)c(N)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H24N2O3/c1-12(13-7-8-16(21(2)3)15(20)9-13)14-10-17(22-4)19(24-6)18(11-14)23-5/h7-11H,1,20H2,2-6H3
InChIKeySIVCWAWKBIIEFB-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.42
Rot. Bonds6

About 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine

1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine (PubChem CID 122182330) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
PubChem CID122182330
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
SMILESC=C(c1ccc(N(C)C)c(N)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H24N2O3/c1-12(13-7-8-16(21(2)3)15(20)9-13)14-10-17(22-4)19(24-6)18(11-14)23-5/h7-11H,1,20H2,2-6H3
InChIKeySIVCWAWKBIIEFB-UHFFFAOYSA-N
XLogP3.42
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-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

(E)-4-(3,4,5-Trimethoxystyryl)aniline
CID 15696376
4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline
CID 364716
Dimethyl-{4-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenyl}-amine
CID 15696370
4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 373798
4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 373800
(1E,4E)-1-(4-(dimethylamino)phenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
CID 1854370
4-(3,4,5-Trimethoxyphenethyl)aniline
CID 364705
4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride
CID 373799
4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride
CID 373801
3,4-dimethyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 3858898
N,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 15696371
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
CID 15696379

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine (CID 122182330) is 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine is C=C(c1ccc(N(C)C)c(N)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine?
The InChIKey is SIVCWAWKBIIEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(13-7-8-16(21(2)3)15(20)9-13)14-10-17(22-4)19(24-6)18(11-14)23-5/h7-11H,1,20H2,2-6H3.
What are the key properties of 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine?
1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine has a molecular weight of 328.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine is sourced from PubChem (CID 122182330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).