3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine

C15H21NO3 — CID 94074428

IUPAC3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
SMILESC#CCOc1c(CNCCCOC)cccc1OC
InChIInChI=1S/C15H21NO3/c1-4-10-19-15-13(7-5-8-14(15)18-3)12-16-9-6-11-17-2/h1,5,7-8,16H,6,9-12H2,2-3H3
InChIKeyGLFUPKIRCMXKQD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.83
Rot. Bonds9

About 3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine

3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine (PubChem CID 94074428) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
PubChem CID94074428
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
SMILESC#CCOc1c(CNCCCOC)cccc1OC
InChIInChI=1S/C15H21NO3/c1-4-10-19-15-13(7-5-8-14(15)18-3)12-16-9-6-11-17-2/h1,5,7-8,16H,6,9-12H2,2-3H3
InChIKeyGLFUPKIRCMXKQD-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'}

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Related Compounds

2-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63058112
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methoxyethoxy)phenyl]methanamine
CID 54849158
2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine (CID 94074428) is 3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine is C#CCOc1c(CNCCCOC)cccc1OC.
What is the InChIKey of 3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
The InChIKey is GLFUPKIRCMXKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-10-19-15-13(7-5-8-14(15)18-3)12-16-9-6-11-17-2/h1,5,7-8,16H,6,9-12H2,2-3H3.
What are the key properties of 3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine 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 3-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 94074428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).