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

C16H25NO3 — CID 63327028

IUPACmethyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(C)cc1CNCC(C)C
InChIInChI=1S/C16H25NO3/c1-11(2)9-17-10-14-8-12(3)6-7-15(14)20-13(4)16(18)19-5/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyVUHHRQNJZFGUOL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.68
Rot. Bonds7

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

methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate (PubChem CID 63327028) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
PubChem CID63327028
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(C)cc1CNCC(C)C
InChIInChI=1S/C16H25NO3/c1-11(2)9-17-10-14-8-12(3)6-7-15(14)20-13(4)16(18)19-5/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyVUHHRQNJZFGUOL-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-methyl-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-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 63327073
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
propan-2-yl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63326690
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 63325804
2-amino-3-[(2-methoxy-5-methylphenyl)methylamino]propanoic acid
CID 115240648
methyl 2-(2-formyl-5-methylphenoxy)propanoate
CID 23286419
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 81106035
N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 65369408
2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63327030
1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211448
1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43431597

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate?
The IUPAC name of methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate (CID 63327028) is methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate is COC(=O)C(C)Oc1ccc(C)cc1CNCC(C)C.
What is the InChIKey of methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate?
The InChIKey is VUHHRQNJZFGUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)9-17-10-14-8-12(3)6-7-15(14)20-13(4)16(18)19-5/h6-8,11,13,17H,9-10H2,1-5H3.
What are the key properties of methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate?
methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate has a molecular weight of 279.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate is sourced from PubChem (CID 63327028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).