methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate

C15H23NO3 — CID 63949714

IUPACmethyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(C)cc1CNC(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)16-10-13-9-12(3)5-6-14(13)19-8-7-15(17)18-4/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyLNNJEWVRJLUGNK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds7

About methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate

methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate (PubChem CID 63949714) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate
PubChem CID63949714
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(C)cc1CNC(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)16-10-13-9-12(3)5-6-14(13)19-8-7-15(17)18-4/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyLNNJEWVRJLUGNK-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 63323400
N-[[2-(4-methoxybutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 104647081
N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
CID 55204171
methyl 4-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 107696219
propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate
CID 63323185
N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702
methyl 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butanoate
CID 63326685
N-[[2-(3-methoxy-3-methylbutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 103032811
methyl 3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78955036
methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79151614
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
CID 63324887

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate?
The IUPAC name of methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate (CID 63949714) is methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate?
The canonical SMILES for methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate is COC(=O)CCOc1ccc(C)cc1CNC(C)C.
What is the InChIKey of methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate?
The InChIKey is LNNJEWVRJLUGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)16-10-13-9-12(3)5-6-14(13)19-8-7-15(17)18-4/h5-6,9,11,16H,7-8,10H2,1-4H3.
What are the key properties of methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate?
methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate is sourced from PubChem (CID 63949714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).