2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine

C14H21NO — CID 114470709

IUPAC2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine
SMILESC=C(C)CCOCc1ccccc1CCN
InChIInChI=1S/C14H21NO/c1-12(2)8-10-16-11-14-6-4-3-5-13(14)7-9-15/h3-6H,1,7-11,15H2,2H3
InChIKeyUZHPXUFVZWRHIM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.67
Rot. Bonds7

About 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine

2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine (PubChem CID 114470709) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine
PubChem CID114470709
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine
SMILESC=C(C)CCOCc1ccccc1CCN
InChIInChI=1S/C14H21NO/c1-12(2)8-10-16-11-14-6-4-3-5-13(14)7-9-15/h3-6H,1,7-11,15H2,2H3
InChIKeyUZHPXUFVZWRHIM-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine 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-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine
CID 114470752
methyl 2-[2-(3-methylbut-3-enoxymethyl)phenyl]acetate
CID 114469955
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562
2-methyl-N-[[2-(3-methylbut-3-enoxymethyl)phenyl]methyl]propan-1-amine
CID 114470753
2-[3-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476290
2-[2-(2-methylpropoxymethyl)phenyl]ethanamine
CID 115464547
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
[2-(4-oxopentanoyloxymethyl)phenyl]methyl 4-methylpent-4-enoate
CID 122496099
4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol
CID 170366214
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
1-chloro-4-[2-(3-methylbut-3-enoxy)ethyl]benzene
CID 142585540
8-methylnon-8-enoxymethylbenzene
CID 10776845

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine (CID 114470709) is 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine is C=C(C)CCOCc1ccccc1CCN.
What is the InChIKey of 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine?
The InChIKey is UZHPXUFVZWRHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(2)8-10-16-11-14-6-4-3-5-13(14)7-9-15/h3-6H,1,7-11,15H2,2H3.
What are the key properties of 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine?
2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 114470709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).