N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine

C25H26N2O2 — CID 56846683

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine
SMILESCCN(CCc1ccc(OC)c(OC)c1)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C25H26N2O2/c1-4-27(16-15-18-13-14-23(28-2)24(17-18)29-3)25-19-9-5-7-11-21(19)26-22-12-8-6-10-20(22)25/h5-14,17H,4,15-16H2,1-3H3
InChIKeyUYZDFXLIBZVOGH-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.47
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine (PubChem CID 56846683) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine
PubChem CID56846683
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine
SMILESCCN(CCc1ccc(OC)c(OC)c1)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C25H26N2O2/c1-4-27(16-15-18-13-14-23(28-2)24(17-18)29-3)25-19-9-5-7-11-21(19)26-22-12-8-6-10-20(22)25/h5-14,17H,4,15-16H2,1-3H3
InChIKeyUYZDFXLIBZVOGH-UHFFFAOYSA-N
XLogP5.47
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline
CID 91153453
9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride
CID 117068960
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
CID 16637848
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine
CID 4831555
2-[benzenesulfonyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetic acid
CID 100592306
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-oxo-3-propylphthalazine-1-carboxamide
CID 26826362
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine
CID 174904451

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine (CID 56846683) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine is CCN(CCc1ccc(OC)c(OC)c1)c1c2ccccc2nc2ccccc12.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine?
The InChIKey is UYZDFXLIBZVOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-4-27(16-15-18-13-14-23(28-2)24(17-18)29-3)25-19-9-5-7-11-21(19)26-22-12-8-6-10-20(22)25/h5-14,17H,4,15-16H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine has a molecular weight of 386.50 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine is sourced from PubChem (CID 56846683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).