methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate

C14H21NO3 — CID 63057754

IUPACmethyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNCC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-11(2)8-15-9-12-5-4-6-13(7-12)18-10-14(16)17-3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyGSKFKIRXWLMNSS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.98
Rot. Bonds7

About methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate

methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate (PubChem CID 63057754) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
PubChem CID63057754
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNCC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-11(2)8-15-9-12-5-4-6-13(7-12)18-10-14(16)17-3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyGSKFKIRXWLMNSS-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
methyl 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenoxy]acetate
CID 54144555
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63056226
2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 114492020
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
methyl 2-[3-(4-oxobutyl)phenoxy]acetate
CID 21221318
methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
CID 119787093
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073056

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate (CID 63057754) is methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate is COC(=O)COc1cccc(CNCC(C)C)c1.
What is the InChIKey of methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate?
The InChIKey is GSKFKIRXWLMNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)8-15-9-12-5-4-6-13(7-12)18-10-14(16)17-3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate?
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate is sourced from PubChem (CID 63057754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).