2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine

C15H23NO2 — CID 66047570

IUPAC2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine
SMILESC=C(CC)COc1ccccc1CNCCOC
InChIInChI=1S/C15H23NO2/c1-4-13(2)12-18-15-8-6-5-7-14(15)11-16-9-10-17-3/h5-8,16H,2,4,9-12H2,1,3H3
InChIKeyVPHIGXOXMUMJIF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds9

About 2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine (PubChem CID 66047570) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine
PubChem CID66047570
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine
SMILESC=C(CC)COc1ccccc1CNCCOC
InChIInChI=1S/C15H23NO2/c1-4-13(2)12-18-15-8-6-5-7-14(15)11-16-9-10-17-3/h5-8,16H,2,4,9-12H2,1,3H3
InChIKeyVPHIGXOXMUMJIF-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491988
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511
1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491989
3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 82850622
N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055805
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine (CID 66047570) is 2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine is C=C(CC)COc1ccccc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine?
The InChIKey is VPHIGXOXMUMJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-13(2)12-18-15-8-6-5-7-14(15)11-16-9-10-17-3/h5-8,16H,2,4,9-12H2,1,3H3.
What are the key properties of 2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 66047570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).