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

C16H25NO3 — CID 7991094

IUPAC3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1c(CNCCCOCC)cccc1OC
InChIInChI=1S/C16H25NO3/c1-4-11-20-16-14(8-6-9-15(16)18-3)13-17-10-7-12-19-5-2/h4,6,8-9,17H,1,5,7,10-13H2,2-3H3
InChIKeyGVWCWVBTKQQSLC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.78
Rot. Bonds11

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

3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine (PubChem CID 7991094) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine
PubChem CID7991094
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1c(CNCCCOCC)cccc1OC
InChIInChI=1S/C16H25NO3/c1-4-11-20-16-14(8-6-9-15(16)18-3)13-17-10-7-12-19-5-2/h4,6,8-9,17H,1,5,7,10-13H2,2-3H3
InChIKeyGVWCWVBTKQQSLC-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
CID 54807521
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208974
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
3-ethoxy-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 4716380
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
3-butoxy-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17207628
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17206139
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 54848998
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine (CID 7991094) is 3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine is C=CCOc1c(CNCCCOCC)cccc1OC.
What is the InChIKey of 3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The InChIKey is GVWCWVBTKQQSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-11-20-16-14(8-6-9-15(16)18-3)13-17-10-7-12-19-5-2/h4,6,8-9,17H,1,5,7,10-13H2,2-3H3.
What are the key properties of 3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine?
3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 7991094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).