5-[(2-methoxyphenyl)methylamino]pentyl acetate

C15H23NO3 — CID 82533082

IUPAC5-[(2-methoxyphenyl)methylamino]pentyl acetate
SMILESCOc1ccccc1CNCCCCCOC(C)=O
InChIInChI=1S/C15H23NO3/c1-13(17)19-11-7-3-6-10-16-12-14-8-4-5-9-15(14)18-2/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3
InChIKeyQDMHMTXZQAAWSS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.52
Rot. Bonds9

About 5-[(2-methoxyphenyl)methylamino]pentyl acetate

5-[(2-methoxyphenyl)methylamino]pentyl acetate (PubChem CID 82533082) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylamino]pentyl acetate.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylamino]pentyl acetate
PubChem CID82533082
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[(2-methoxyphenyl)methylamino]pentyl acetate
SMILESCOc1ccccc1CNCCCCCOC(C)=O
InChIInChI=1S/C15H23NO3/c1-13(17)19-11-7-3-6-10-16-12-14-8-4-5-9-15(14)18-2/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3
InChIKeyQDMHMTXZQAAWSS-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

4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
3-[(2-methoxyphenyl)methylamino]propyl butanoate
CID 82533093
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
3-[(2-methylphenyl)methylamino]propyl acetate
CID 82533271
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
6-[(2-methoxyphenyl)methylamino]-N-[(1R,2R)-2-[6-[(2-methoxyphenyl)methylamino]hexanoylamino]cyclohexyl]hexanamide
CID 25149358
5,5,5-trifluoro-N-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 115491458
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylamino]pentyl acetate?
The IUPAC name of 5-[(2-methoxyphenyl)methylamino]pentyl acetate (CID 82533082) is 5-[(2-methoxyphenyl)methylamino]pentyl acetate.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylamino]pentyl acetate?
The canonical SMILES for 5-[(2-methoxyphenyl)methylamino]pentyl acetate is COc1ccccc1CNCCCCCOC(C)=O.
What is the InChIKey of 5-[(2-methoxyphenyl)methylamino]pentyl acetate?
The InChIKey is QDMHMTXZQAAWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13(17)19-11-7-3-6-10-16-12-14-8-4-5-9-15(14)18-2/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3.
What are the key properties of 5-[(2-methoxyphenyl)methylamino]pentyl acetate?
5-[(2-methoxyphenyl)methylamino]pentyl acetate 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 5-[(2-methoxyphenyl)methylamino]pentyl acetate is sourced from PubChem (CID 82533082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).