2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate

C14H21NO5 — CID 11099240

IUPAC2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate
SMILESCOc1cc(CNCCOC(C)=O)cc(OC)c1OC
InChIInChI=1S/C14H21NO5/c1-10(16)20-6-5-15-9-11-7-12(17-2)14(19-4)13(8-11)18-3/h7-8,15H,5-6,9H2,1-4H3
InChIKeyVXENEVWKAKZXBL-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.37
Rot. Bonds8

About 2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate

2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate (PubChem CID 11099240) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate.

Molecular Properties

Compound Name2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate
PubChem CID11099240
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate
SMILESCOc1cc(CNCCOC(C)=O)cc(OC)c1OC
InChIInChI=1S/C14H21NO5/c1-10(16)20-6-5-15-9-11-7-12(17-2)14(19-4)13(8-11)18-3/h7-8,15H,5-6,9H2,1-4H3
InChIKeyVXENEVWKAKZXBL-UHFFFAOYSA-N
XLogP1.37
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
CID 17155563
N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate
CID 23052527
3-[(3,4,5-trimethoxyphenyl)methylamino]propane-1-sulfonic acid
CID 11244091
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethyl carbamate
CID 83210828
2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol
CID 17214225
2-[(4-ethylphenyl)methylamino]ethyl acetate
CID 82533444
1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721294
N-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 102675085

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate?
The IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate (CID 11099240) is 2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate.
What is the SMILES notation for 2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate?
The canonical SMILES for 2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate is COc1cc(CNCCOC(C)=O)cc(OC)c1OC.
What is the InChIKey of 2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate?
The InChIKey is VXENEVWKAKZXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-10(16)20-6-5-15-9-11-7-12(17-2)14(19-4)13(8-11)18-3/h7-8,15H,5-6,9H2,1-4H3.
What are the key properties of 2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate?
2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate has a molecular weight of 283.32 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate is sourced from PubChem (CID 11099240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).