4-methoxy-3-(prop-2-enoxymethyl)aniline

C11H15NO2 — CID 53363952

IUPAC4-methoxy-3-(prop-2-enoxymethyl)aniline
SMILESC=CCOCc1cc(N)ccc1OC
InChIInChI=1S/C11H15NO2/c1-3-6-14-8-9-7-10(12)4-5-11(9)13-2/h3-5,7H,1,6,8,12H2,2H3
InChIKeyWZFLCFVLOHJATH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.98
Rot. Bonds5

About 4-methoxy-3-(prop-2-enoxymethyl)aniline

4-methoxy-3-(prop-2-enoxymethyl)aniline (PubChem CID 53363952) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-methoxy-3-(prop-2-enoxymethyl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(prop-2-enoxymethyl)aniline
PubChem CID53363952
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-methoxy-3-(prop-2-enoxymethyl)aniline
SMILESC=CCOCc1cc(N)ccc1OC
InChIInChI=1S/C11H15NO2/c1-3-6-14-8-9-7-10(12)4-5-11(9)13-2/h3-5,7H,1,6,8,12H2,2H3
InChIKeyWZFLCFVLOHJATH-UHFFFAOYSA-N
XLogP1.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-(prop-2-enoxymethyl)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

2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol
CID 66510838
4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline
CID 43134642
3-(hexoxymethyl)-4-methoxyaniline
CID 43134692
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
CID 43247193
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-methoxyaniline
CID 102721686
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline
CID 62155640
2-chloro-4-[4-methoxy-3-(prop-2-enoxymethyl)phenyl]pyrimidine
CID 53363694
3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline
CID 43247195
4-methoxy-3-[(2,3,6-trimethylphenoxy)methyl]aniline
CID 43167583

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(prop-2-enoxymethyl)aniline?
The IUPAC name of 4-methoxy-3-(prop-2-enoxymethyl)aniline (CID 53363952) is 4-methoxy-3-(prop-2-enoxymethyl)aniline.
What is the SMILES notation for 4-methoxy-3-(prop-2-enoxymethyl)aniline?
The canonical SMILES for 4-methoxy-3-(prop-2-enoxymethyl)aniline is C=CCOCc1cc(N)ccc1OC.
What is the InChIKey of 4-methoxy-3-(prop-2-enoxymethyl)aniline?
The InChIKey is WZFLCFVLOHJATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-6-14-8-9-7-10(12)4-5-11(9)13-2/h3-5,7H,1,6,8,12H2,2H3.
What are the key properties of 4-methoxy-3-(prop-2-enoxymethyl)aniline?
4-methoxy-3-(prop-2-enoxymethyl)aniline has a molecular weight of 193.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(prop-2-enoxymethyl)aniline is sourced from PubChem (CID 53363952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).