2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine

C15H23NO2 — CID 63056746

IUPAC2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1cccc(OCC=C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-13(2)7-9-18-15-6-4-5-14(11-15)12-16-8-10-17-3/h4-7,11,16H,8-10,12H2,1-3H3
InChIKeyQGNDWKUEMZKCMW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds8

About 2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine (PubChem CID 63056746) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
PubChem CID63056746
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1cccc(OCC=C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-13(2)7-9-18-15-6-4-5-14(11-15)12-16-8-10-17-3/h4-7,11,16H,8-10,12H2,1-3H3
InChIKeyQGNDWKUEMZKCMW-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine
CID 60883726
2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63055892
3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63057423
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
N-[(3-ethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527853
2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63059744
N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057420

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine (CID 63056746) is 2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine is COCCNCc1cccc(OCC=C(C)C)c1.
What is the InChIKey of 2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
The InChIKey is QGNDWKUEMZKCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13(2)7-9-18-15-6-4-5-14(11-15)12-16-8-10-17-3/h4-7,11,16H,8-10,12H2,1-3H3.
What are the key properties of 2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63056746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).