2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline

C18H22N2O2 — CID 11014135

IUPAC2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline
SMILESC=C(COc1ccc(C)cc1N)COc1ccc(C)cc1N
InChIInChI=1S/C18H22N2O2/c1-12-4-6-17(15(19)8-12)21-10-14(3)11-22-18-7-5-13(2)9-16(18)20/h4-9H,3,10-11,19-20H2,1-2H3
InChIKeyQVSJJFOPKXFASN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.48
Rot. Bonds6

About 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline

2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline (PubChem CID 11014135) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline
PubChem CID11014135
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline
SMILESC=C(COc1ccc(C)cc1N)COc1ccc(C)cc1N
InChIInChI=1S/C18H22N2O2/c1-12-4-6-17(15(19)8-12)21-10-14(3)11-22-18-7-5-13(2)9-16(18)20/h4-9H,3,10-11,19-20H2,1-2H3
InChIKeyQVSJJFOPKXFASN-UHFFFAOYSA-N
XLogP3.48
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline 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

3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde
CID 15536551
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
CID 61312995
2-(2,2-difluoroethoxy)-5-methylaniline
CID 19622888
2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
2-[(2-chloro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103066931
2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067314
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline?
The IUPAC name of 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline (CID 11014135) is 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline.
What is the SMILES notation for 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline?
The canonical SMILES for 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline is C=C(COc1ccc(C)cc1N)COc1ccc(C)cc1N.
What is the InChIKey of 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline?
The InChIKey is QVSJJFOPKXFASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-4-6-17(15(19)8-12)21-10-14(3)11-22-18-7-5-13(2)9-16(18)20/h4-9H,3,10-11,19-20H2,1-2H3.
What are the key properties of 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline?
2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline has a molecular weight of 298.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline is sourced from PubChem (CID 11014135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).