(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline

C16H22N2O3 — CID 70411207

IUPAC(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
SMILESCOc1ccc(CN)c(OC)c1.COc1ccc(N)cc1
InChIInChI=1S/C9H13NO2.C7H9NO/c1-11-8-4-3-7(6-10)9(5-8)12-2;1-9-7-4-2-6(8)3-5-7/h3-5H,6,10H2,1-2H3;2-5H,8H2,1H3
InChIKeyXALCBOLMDGZTLL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.44
Rot. Bonds4

About (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline

(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline (PubChem CID 70411207) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
PubChem CID70411207
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
SMILESCOc1ccc(CN)c(OC)c1.COc1ccc(N)cc1
InChIInChI=1S/C9H13NO2.C7H9NO/c1-11-8-4-3-7(6-10)9(5-8)12-2;1-9-7-4-2-6(8)3-5-7/h3-5H,6,10H2,1-2H3;2-5H,8H2,1H3
InChIKeyXALCBOLMDGZTLL-UHFFFAOYSA-N
XLogP2.44
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline 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

4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
(2,4-dimethoxyphenyl)methanamine;1-(isothiocyanatomethyl)-2,4-dimethoxybenzene
CID 158968323
[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride
CID 142687563
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
4-(2,4-dimethoxyphenyl)but-2-yn-1-amine
CID 91200946
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline?
The IUPAC name of (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline (CID 70411207) is (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline.
What is the SMILES notation for (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline?
The canonical SMILES for (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline is COc1ccc(CN)c(OC)c1.COc1ccc(N)cc1.
What is the InChIKey of (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline?
The InChIKey is XALCBOLMDGZTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C7H9NO/c1-11-8-4-3-7(6-10)9(5-8)12-2;1-9-7-4-2-6(8)3-5-7/h3-5H,6,10H2,1-2H3;2-5H,8H2,1H3.
What are the key properties of (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline?
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline has a molecular weight of 290.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methanamine;4-methoxyaniline is sourced from PubChem (CID 70411207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).