methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate

C18H21NO2 — CID 63469902

IUPACmethyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)Cc1cc(C)ccc1C
InChIInChI=1S/C18H21NO2/c1-13-9-10-14(2)15(11-13)12-19(3)17-8-6-5-7-16(17)18(20)21-4/h5-11H,12H2,1-4H3
InChIKeyMUVKADWHSUCJMH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.73
Rot. Bonds4

About methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate

methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate (PubChem CID 63469902) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate
PubChem CID63469902
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)Cc1cc(C)ccc1C
InChIInChI=1S/C18H21NO2/c1-13-9-10-14(2)15(11-13)12-19(3)17-8-6-5-7-16(17)18(20)21-4/h5-11H,12H2,1-4H3
InChIKeyMUVKADWHSUCJMH-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate
CID 102878528
methyl 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]benzoate
CID 78830595
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
methyl 2-[(4-bromothiophen-2-yl)methyl-methylamino]benzoate
CID 62026548
methyl 2-[acetyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzoate
CID 113176114
methyl 2-[(4-chloro-3-fluorophenyl)methyl-methylamino]benzoate
CID 107885982
methyl 2-[methyl(prop-2-enyl)amino]benzoate
CID 60695038
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128462
methyl 2-amino-3-[methyl-[(4-methylphenyl)methyl]amino]benzoate
CID 115544640

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate?
The IUPAC name of methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate (CID 63469902) is methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate.
What is the SMILES notation for methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate?
The canonical SMILES for methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate is COC(=O)c1ccccc1N(C)Cc1cc(C)ccc1C.
What is the InChIKey of methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate?
The InChIKey is MUVKADWHSUCJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-9-10-14(2)15(11-13)12-19(3)17-8-6-5-7-16(17)18(20)21-4/h5-11H,12H2,1-4H3.
What are the key properties of methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate?
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate has a molecular weight of 283.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate is sourced from PubChem (CID 63469902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).