methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate

C16H25NO4 — CID 63062325

IUPACmethyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(OC)cc1CNCC(C)C
InChIInChI=1S/C16H25NO4/c1-11(2)9-17-10-13-8-14(19-4)6-7-15(13)21-12(3)16(18)20-5/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyJGGNTFJRCZZLOU-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.38
Rot. Bonds8

About methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate

methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate (PubChem CID 63062325) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
PubChem CID63062325
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(OC)cc1CNCC(C)C
InChIInChI=1S/C16H25NO4/c1-11(2)9-17-10-13-8-14(19-4)6-7-15(13)21-12(3)16(18)20-5/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyJGGNTFJRCZZLOU-UHFFFAOYSA-N
XLogP2.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63327028
2-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43276278
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 111121970
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 106436916
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate?
The IUPAC name of methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate (CID 63062325) is methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate is COC(=O)C(C)Oc1ccc(OC)cc1CNCC(C)C.
What is the InChIKey of methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate?
The InChIKey is JGGNTFJRCZZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11(2)9-17-10-13-8-14(19-4)6-7-15(13)21-12(3)16(18)20-5/h6-8,11-12,17H,9-10H2,1-5H3.
What are the key properties of methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate?
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate has a molecular weight of 295.38 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate is sourced from PubChem (CID 63062325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).