methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate

C14H21NO3 — CID 60881530

IUPACmethyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
SMILESCCNC(CC)c1ccccc1OCC(=O)OC
InChIInChI=1S/C14H21NO3/c1-4-12(15-5-2)11-8-6-7-9-13(11)18-10-14(16)17-3/h6-9,12,15H,4-5,10H2,1-3H3
InChIKeyAHJCOVXQBKAODP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds7

About methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate

methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate (PubChem CID 60881530) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
PubChem CID60881530
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
SMILESCCNC(CC)c1ccccc1OCC(=O)OC
InChIInChI=1S/C14H21NO3/c1-4-12(15-5-2)11-8-6-7-9-13(11)18-10-14(16)17-3/h6-9,12,15H,4-5,10H2,1-3H3
InChIKeyAHJCOVXQBKAODP-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
2-[2-[1-(ethylamino)propyl]phenoxy]butanamide
CID 62900584
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
CID 63934370
1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208142
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539
2-[2-[1-(ethylamino)propyl]phenoxy]-N-propylpropanamide
CID 43279107
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
CID 106929153
methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate
CID 143093079
methyl 2-[2-(2-aminobutyl)phenoxy]acetate
CID 54930626
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate (CID 60881530) is methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate is CCNC(CC)c1ccccc1OCC(=O)OC.
What is the InChIKey of methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate?
The InChIKey is AHJCOVXQBKAODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-12(15-5-2)11-8-6-7-9-13(11)18-10-14(16)17-3/h6-9,12,15H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate?
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate has a molecular weight of 251.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate is sourced from PubChem (CID 60881530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).