N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline

C24H27NO2 — CID 91153453

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline
SMILESCCN(CCc1ccc(OC)c(OC)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H27NO2/c1-4-25(17-16-19-10-15-23(26-2)24(18-19)27-3)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-15,18H,4,16-17H2,1-3H3
InChIKeyAERXSKRZBRRYDR-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.44
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline (PubChem CID 91153453) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline
PubChem CID91153453
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline
SMILESCCN(CCc1ccc(OC)c(OC)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H27NO2/c1-4-25(17-16-19-10-15-23(26-2)24(18-19)27-3)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-15,18H,4,16-17H2,1-3H3
InChIKeyAERXSKRZBRRYDR-UHFFFAOYSA-N
XLogP5.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline 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

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine
CID 56846683
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine
CID 174904451
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-N',N'-diphenylpropane-1,3-diamine
CID 54241094
ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
CID 142222447
3-[2-(N-ethyl-4-methylanilino)ethyl]aniline
CID 65347516
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
N-[(3,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)butan-1-amine
CID 141000405

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline (CID 91153453) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline is CCN(CCc1ccc(OC)c(OC)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline?
The InChIKey is AERXSKRZBRRYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-4-25(17-16-19-10-15-23(26-2)24(18-19)27-3)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-15,18H,4,16-17H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline has a molecular weight of 361.49 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline is sourced from PubChem (CID 91153453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).