methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate

C15H23NO3 — CID 79620273

IUPACmethyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-15(2,14(17)19-5)11-16(3)10-12-7-6-8-13(9-12)18-4/h6-9H,10-11H2,1-5H3
InChIKeyXJVNMDXUNGQRHF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds6

About methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate

methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate (PubChem CID 79620273) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
PubChem CID79620273
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-15(2,14(17)19-5)11-16(3)10-12-7-6-8-13(9-12)18-4/h6-9H,10-11H2,1-5H3
InChIKeyXJVNMDXUNGQRHF-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-aminophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79624017
methyl 3-[(3-carbamothioylphenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79624002
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 55055189
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55055981
2-ethyl-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]butanal
CID 55051892
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
CID 62624272
2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111336303
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate (CID 79620273) is methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(C)Cc1cccc(OC)c1.
What is the InChIKey of methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate?
The InChIKey is XJVNMDXUNGQRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,14(17)19-5)11-16(3)10-12-7-6-8-13(9-12)18-4/h6-9H,10-11H2,1-5H3.
What are the key properties of methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate?
methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79620273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).