2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine

C24H27N3O2 — CID 75966783

IUPAC2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine
SMILESCOc1ccc(CCN(C)c2ccnc(C=Cc3ccc(N)cc3)c2)cc1OC
InChIInChI=1S/C24H27N3O2/c1-27(15-13-19-7-11-23(28-2)24(16-19)29-3)22-12-14-26-21(17-22)10-6-18-4-8-20(25)9-5-18/h4-12,14,16-17H,13,15,25H2,1-3H3
InChIKeySRJUUKSHAVHUSG-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.53
Rot. Bonds8

About 2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine

2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine (PubChem CID 75966783) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine
PubChem CID75966783
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine
SMILESCOc1ccc(CCN(C)c2ccnc(C=Cc3ccc(N)cc3)c2)cc1OC
InChIInChI=1S/C24H27N3O2/c1-27(15-13-19-7-11-23(28-2)24(16-19)29-3)22-12-14-26-21(17-22)10-6-18-4-8-20(25)9-5-18/h4-12,14,16-17H,13,15,25H2,1-3H3
InChIKeySRJUUKSHAVHUSG-UHFFFAOYSA-N
XLogP4.53
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde
CID 141241668
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine
CID 75431201
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 14237547
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041341
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 172866554
4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propylamino]ethyl]benzene-1,2-diamine
CID 10642093
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylpropan-1-amine
CID 19926629
4-[2-[(3-butoxy-4-methoxyphenyl)methyl-methylamino]ethyl]aniline
CID 20646928

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine (CID 75966783) is 2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine is COc1ccc(CCN(C)c2ccnc(C=Cc3ccc(N)cc3)c2)cc1OC.
What is the InChIKey of 2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine?
The InChIKey is SRJUUKSHAVHUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-27(15-13-19-7-11-23(28-2)24(16-19)29-3)22-12-14-26-21(17-22)10-6-18-4-8-20(25)9-5-18/h4-12,14,16-17H,13,15,25H2,1-3H3.
What are the key properties of 2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine?
2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)ethenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 75966783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).