methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate

C13H18ClNO3 — CID 113456323

IUPACmethyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1c(Cl)cccc1OC
InChIInChI=1S/C13H18ClNO3/c1-13(2,12(16)18-4)15-8-9-10(14)6-5-7-11(9)17-3/h5-7,15H,8H2,1-4H3
InChIKeyZTYZNMDZDFQPRF-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.39
Rot. Bonds5

About methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate

methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate (PubChem CID 113456323) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate
PubChem CID113456323
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1c(Cl)cccc1OC
InChIInChI=1S/C13H18ClNO3/c1-13(2,12(16)18-4)15-8-9-10(14)6-5-7-11(9)17-3/h5-7,15H,8H2,1-4H3
InChIKeyZTYZNMDZDFQPRF-UHFFFAOYSA-N
XLogP2.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate 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

tert-butyl N-[(2-chloro-6-methoxyphenyl)methylamino]carbamate
CID 107236678
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 115676191
2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
CID 107865058
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
methyl 2-[(2,6-difluorophenyl)methylamino]-2-methylpropanoate
CID 43725907
tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
CID 115635465
methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43725845
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740278
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate (CID 113456323) is methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate is COC(=O)C(C)(C)NCc1c(Cl)cccc1OC.
What is the InChIKey of methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate?
The InChIKey is ZTYZNMDZDFQPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-13(2,12(16)18-4)15-8-9-10(14)6-5-7-11(9)17-3/h5-7,15H,8H2,1-4H3.
What are the key properties of methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate?
methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate has a molecular weight of 271.74 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 113456323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).