3-[(2-methoxyphenyl)methylamino]propyl butanoate

C15H23NO3 — CID 82533093

IUPAC3-[(2-methoxyphenyl)methylamino]propyl butanoate
SMILESCCCC(=O)OCCCNCc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-3-7-15(17)19-11-6-10-16-12-13-8-4-5-9-14(13)18-2/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3
InChIKeyANSJPSBWUBOYDJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.52
Rot. Bonds9

About 3-[(2-methoxyphenyl)methylamino]propyl butanoate

3-[(2-methoxyphenyl)methylamino]propyl butanoate (PubChem CID 82533093) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methylamino]propyl butanoate.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methylamino]propyl butanoate
PubChem CID82533093
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[(2-methoxyphenyl)methylamino]propyl butanoate
SMILESCCCC(=O)OCCCNCc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-3-7-15(17)19-11-6-10-16-12-13-8-4-5-9-14(13)18-2/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3
InChIKeyANSJPSBWUBOYDJ-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylphenyl)methylamino]propyl butanoate
CID 82533269
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
5-[(2-methoxyphenyl)methylamino]pentyl acetate
CID 82533082
tridecyl 5-[(2-methoxyphenyl)methylamino]-5-oxopentanoate
CID 91715527
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
1-O-heptyl 4-O-[(2-methoxyphenyl)methyl] butanedioate
CID 91715717
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214523
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine
CID 82097699
3-[(3,4-difluorophenyl)methylamino]propyl butanoate
CID 82532984

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methylamino]propyl butanoate?
The IUPAC name of 3-[(2-methoxyphenyl)methylamino]propyl butanoate (CID 82533093) is 3-[(2-methoxyphenyl)methylamino]propyl butanoate.
What is the SMILES notation for 3-[(2-methoxyphenyl)methylamino]propyl butanoate?
The canonical SMILES for 3-[(2-methoxyphenyl)methylamino]propyl butanoate is CCCC(=O)OCCCNCc1ccccc1OC.
What is the InChIKey of 3-[(2-methoxyphenyl)methylamino]propyl butanoate?
The InChIKey is ANSJPSBWUBOYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-7-15(17)19-11-6-10-16-12-13-8-4-5-9-14(13)18-2/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methylamino]propyl butanoate?
3-[(2-methoxyphenyl)methylamino]propyl butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methylamino]propyl butanoate is sourced from PubChem (CID 82533093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).