methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate

C15H23NO3 — CID 82351560

IUPACmethyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate
SMILESCNC(CC(=O)OC)Cc1c(C)cc(OC)cc1C
InChIInChI=1S/C15H23NO3/c1-10-6-13(18-4)7-11(2)14(10)8-12(16-3)9-15(17)19-5/h6-7,12,16H,8-9H2,1-5H3
InChIKeyDYMNPBMAZAEMPR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.01
Rot. Bonds6

About methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate

methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate (PubChem CID 82351560) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate
PubChem CID82351560
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate
SMILESCNC(CC(=O)OC)Cc1c(C)cc(OC)cc1C
InChIInChI=1S/C15H23NO3/c1-10-6-13(18-4)7-11(2)14(10)8-12(16-3)9-15(17)19-5/h6-7,12,16H,8-9H2,1-5H3
InChIKeyDYMNPBMAZAEMPR-UHFFFAOYSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid
CID 82350962
3-(butan-2-ylamino)-4-(4-methoxy-2,6-dimethylphenyl)butanoic acid
CID 82350952
methyl 3-(methylamino)-4-(2-methyl-4-nitrophenyl)butanoate
CID 145251987
methyl 4-(3,4-difluorophenyl)-3-(methylamino)butanoate
CID 82351619
methyl (3R)-4-hydroxy-3-(methylamino)butanoate
CID 88981665
methyl 3-(cyclopropylamino)-4-(2,3,5,6-tetramethylphenyl)butanoate
CID 82351544
methyl 3-(4-methoxy-2-methylanilino)butanoate
CID 62873162
2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene
CID 82255002
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
methyl 3-bromo-4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82352103
methyl 3-(3,5-dimethoxyanilino)butanoate
CID 43536667

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate?
The IUPAC name of methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate (CID 82351560) is methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate?
The canonical SMILES for methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate is CNC(CC(=O)OC)Cc1c(C)cc(OC)cc1C.
What is the InChIKey of methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate?
The InChIKey is DYMNPBMAZAEMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-6-13(18-4)7-11(2)14(10)8-12(16-3)9-15(17)19-5/h6-7,12,16H,8-9H2,1-5H3.
What are the key properties of methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate?
methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate is sourced from PubChem (CID 82351560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).