N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline

C18H21NO2 — CID 76946846

IUPACN-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
SMILESCC=Cc1ccc(OCCNc2ccccc2)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-3-7-15-10-11-17(18(14-15)20-2)21-13-12-19-16-8-5-4-6-9-16/h3-11,14,19H,12-13H2,1-2H3
InChIKeyNKVFYFGWSYBCMS-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.22
Rot. Bonds7

About N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline

N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline (PubChem CID 76946846) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
PubChem CID76946846
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
SMILESCC=Cc1ccc(OCCNc2ccccc2)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-3-7-15-10-11-17(18(14-15)20-2)21-13-12-19-16-8-5-4-6-9-16/h3-11,14,19H,12-13H2,1-2H3
InChIKeyNKVFYFGWSYBCMS-UHFFFAOYSA-N
XLogP4.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]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

N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 76946730
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
CID 107668654
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
CID 76946866
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]butan-2-amine
CID 20833711
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18279710
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
CID 2934924
1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
CID 2232243

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline?
The IUPAC name of N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline (CID 76946846) is N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline?
The canonical SMILES for N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline is CC=Cc1ccc(OCCNc2ccccc2)c(OC)c1.
What is the InChIKey of N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline?
The InChIKey is NKVFYFGWSYBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-7-15-10-11-17(18(14-15)20-2)21-13-12-19-16-8-5-4-6-9-16/h3-11,14,19H,12-13H2,1-2H3.
What are the key properties of N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline?
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline has a molecular weight of 283.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline is sourced from PubChem (CID 76946846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).