2,4-dimethoxy-N-(1-phenylethyl)aniline

C16H19NO2 — CID 11586940

IUPAC2,4-dimethoxy-N-(1-phenylethyl)aniline
SMILESCOc1ccc(NC(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H19NO2/c1-12(13-7-5-4-6-8-13)17-15-10-9-14(18-2)11-16(15)19-3/h4-12,17H,1-3H3
InChIKeyCYDVBMUYPJPOIC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.88
Rot. Bonds5

About 2,4-dimethoxy-N-(1-phenylethyl)aniline

2,4-dimethoxy-N-(1-phenylethyl)aniline (PubChem CID 11586940) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-(1-phenylethyl)aniline
PubChem CID11586940
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2,4-dimethoxy-N-(1-phenylethyl)aniline
SMILESCOc1ccc(NC(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H19NO2/c1-12(13-7-5-4-6-8-13)17-15-10-9-14(18-2)11-16(15)19-3/h4-12,17H,1-3H3
InChIKeyCYDVBMUYPJPOIC-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-N-(1-phenylethyl)aniline 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

6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19142840
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile
CID 104848009
N-(2,4-dimethoxyphenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156154
2,4-dimethoxy-N-[(1R)-2-nitro-1-phenylethyl]aniline
CID 94714144
2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline
CID 103412044
N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
CID 43191590
ethyl 3-(2,4-dimethoxyanilino)-3-phenylpropanoate
CID 101207114
2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline
CID 79008614
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine
CID 7529068

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(1-phenylethyl)aniline?
The IUPAC name of 2,4-dimethoxy-N-(1-phenylethyl)aniline (CID 11586940) is 2,4-dimethoxy-N-(1-phenylethyl)aniline.
What is the SMILES notation for 2,4-dimethoxy-N-(1-phenylethyl)aniline?
The canonical SMILES for 2,4-dimethoxy-N-(1-phenylethyl)aniline is COc1ccc(NC(C)c2ccccc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(1-phenylethyl)aniline?
The InChIKey is CYDVBMUYPJPOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(13-7-5-4-6-8-13)17-15-10-9-14(18-2)11-16(15)19-3/h4-12,17H,1-3H3.
What are the key properties of 2,4-dimethoxy-N-(1-phenylethyl)aniline?
2,4-dimethoxy-N-(1-phenylethyl)aniline has a molecular weight of 257.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(1-phenylethyl)aniline is sourced from PubChem (CID 11586940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).