2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate

C19H23NO4 — CID 19576996

IUPAC2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate
SMILESCOc1cc(CNCc2ccccc2)ccc1OCCOC(C)=O
InChIInChI=1S/C19H23NO4/c1-15(21)23-10-11-24-18-9-8-17(12-19(18)22-2)14-20-13-16-6-4-3-5-7-16/h3-9,12,20H,10-11,13-14H2,1-2H3
InChIKeyRBMDHJZUEQIMET-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.93
Rot. Bonds9

About 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate

2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate (PubChem CID 19576996) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate.

Molecular Properties

Compound Name2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate
PubChem CID19576996
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate
SMILESCOc1cc(CNCc2ccccc2)ccc1OCCOC(C)=O
InChIInChI=1S/C19H23NO4/c1-15(21)23-10-11-24-18-9-8-17(12-19(18)22-2)14-20-13-16-6-4-3-5-7-16/h3-9,12,20H,10-11,13-14H2,1-2H3
InChIKeyRBMDHJZUEQIMET-UHFFFAOYSA-N
XLogP2.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride (1:1)
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CID 2048402
4-{(1e)-3-Oxo-3-[(2-Phenylethyl)amino]prop-1-En-1-Yl}-1,2-Phenylene Diacetate
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate?
The IUPAC name of 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate (CID 19576996) is 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate.
What is the SMILES notation for 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate?
The canonical SMILES for 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate is COc1cc(CNCc2ccccc2)ccc1OCCOC(C)=O.
What is the InChIKey of 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate?
The InChIKey is RBMDHJZUEQIMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-15(21)23-10-11-24-18-9-8-17(12-19(18)22-2)14-20-13-16-6-4-3-5-7-16/h3-9,12,20H,10-11,13-14H2,1-2H3.
What are the key properties of 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate?
2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate has a molecular weight of 329.40 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]ethyl acetate is sourced from PubChem (CID 19576996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).