N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine

C15H21NO3 — CID 63056072

IUPACN-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine
SMILESC#CCCOc1ccc(CNCCOC)cc1OC
InChIInChI=1S/C15H21NO3/c1-4-5-9-19-14-7-6-13(11-15(14)18-3)12-16-8-10-17-2/h1,6-7,11,16H,5,8-10,12H2,2-3H3
InChIKeyCSVZSAUYXIFWSH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.83
Rot. Bonds9

About N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine

N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 63056072) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID63056072
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine
SMILESC#CCCOc1ccc(CNCCOC)cc1OC
InChIInChI=1S/C15H21NO3/c1-4-5-9-19-14-7-6-13(11-15(14)18-3)12-16-8-10-17-2/h1,6-7,11,16H,5,8-10,12H2,2-3H3
InChIKeyCSVZSAUYXIFWSH-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine 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-[[4-but-3-ynoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320118
N-[(4-but-3-ynoxy-3-ethoxyphenyl)methyl]propan-1-amine
CID 60881839
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 82927600
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
N-[(3-methoxy-4-pent-3-ynoxyphenyl)methyl]propan-1-amine
CID 104804498
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
CID 54849470
N-[(3-bromo-4-but-3-ynoxyphenyl)methyl]propan-1-amine
CID 55250050
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 63056243
N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine
CID 107689325

Frequently Asked Questions

What is the IUPAC name of N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine (CID 63056072) is N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine is C#CCCOc1ccc(CNCCOC)cc1OC.
What is the InChIKey of N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is CSVZSAUYXIFWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-5-9-19-14-7-6-13(11-15(14)18-3)12-16-8-10-17-2/h1,6-7,11,16H,5,8-10,12H2,2-3H3.
What are the key properties of N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine?
N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 263.34 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63056072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).