methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate

C14H21NO3 — CID 106487848

IUPACmethyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(CN)Cc1cc(C)ccc1OC
InChIInChI=1S/C14H21NO3/c1-10-5-6-12(17-3)11(7-10)8-14(2,9-15)13(16)18-4/h5-7H,8-9,15H2,1-4H3
InChIKeyCMWARCYEKPLVHZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.68
Rot. Bonds5

About methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate

methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate (PubChem CID 106487848) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
PubChem CID106487848
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(CN)Cc1cc(C)ccc1OC
InChIInChI=1S/C14H21NO3/c1-10-5-6-12(17-3)11(7-10)8-14(2,9-15)13(16)18-4/h5-7H,8-9,15H2,1-4H3
InChIKeyCMWARCYEKPLVHZ-UHFFFAOYSA-N
XLogP1.68
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate
CID 106489483
N-(1-amino-2-methylpropan-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 110832873
methyl 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-methylpropanoate
CID 106487899
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine
CID 82141632
2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3-oxobutanenitrile
CID 65394428
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
CID 115154960
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 112566938
3-amino-1-(2-methoxy-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 116611554
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate (CID 106487848) is methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate is COC(=O)C(C)(CN)Cc1cc(C)ccc1OC.
What is the InChIKey of methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate?
The InChIKey is CMWARCYEKPLVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-5-6-12(17-3)11(7-10)8-14(2,9-15)13(16)18-4/h5-7H,8-9,15H2,1-4H3.
What are the key properties of methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate?
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate has a molecular weight of 251.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate is sourced from PubChem (CID 106487848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).