3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine

C15H23NO3 — CID 17206660

IUPAC3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1ccc(CNCCCOC)cc1OC
InChIInChI=1S/C15H23NO3/c1-4-9-19-14-7-6-13(11-15(14)18-3)12-16-8-5-10-17-2/h4,6-7,11,16H,1,5,8-10,12H2,2-3H3
InChIKeyNEVJGAWELQBDEZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.39
Rot. Bonds10

About 3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine

3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine (PubChem CID 17206660) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine
PubChem CID17206660
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1ccc(CNCCCOC)cc1OC
InChIInChI=1S/C15H23NO3/c1-4-9-19-14-7-6-13(11-15(14)18-3)12-16-8-5-10-17-2/h4,6-7,11,16H,1,5,8-10,12H2,2-3H3
InChIKeyNEVJGAWELQBDEZ-UHFFFAOYSA-N
XLogP2.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.39
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-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine
CID 4716850
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
CID 54849470
3-ethenoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 28726433
N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 60883199
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17209419
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 4715809
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]butan-1-amine;hydrochloride
CID 2959787
1-(1,3-benzodioxol-5-yl)-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride
CID 6457612
1-(diethylamino)-3-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]propan-2-ol
CID 45238338
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine (CID 17206660) is 3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine is C=CCOc1ccc(CNCCCOC)cc1OC.
What is the InChIKey of 3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine?
The InChIKey is NEVJGAWELQBDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-9-19-14-7-6-13(11-15(14)18-3)12-16-8-5-10-17-2/h4,6-7,11,16H,1,5,8-10,12H2,2-3H3.
What are the key properties of 3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine?
3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.39, 10 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-4-prop-2-enoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 17206660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).