methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate

C12H16ClNO3 — CID 115232874

IUPACmethyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1cc(Cl)c(OC)cc1C
InChIInChI=1S/C12H16ClNO3/c1-8-4-11(16-2)10(13)5-9(8)6-14-7-12(15)17-3/h4-5,14H,6-7H2,1-3H3
InChIKeyWYOKSXHCNCVMRP-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.92
Rot. Bonds5

About methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate

methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate (PubChem CID 115232874) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
PubChem CID115232874
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namemethyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1cc(Cl)c(OC)cc1C
InChIInChI=1S/C12H16ClNO3/c1-8-4-11(16-2)10(13)5-9(8)6-14-7-12(15)17-3/h4-5,14H,6-7H2,1-3H3
InChIKeyWYOKSXHCNCVMRP-UHFFFAOYSA-N
XLogP1.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
CID 115232862
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]acetic acid
CID 43465736
1-[(4-methoxy-2,5-dimethylphenyl)methylamino]propan-2-one
CID 115234701
3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214074
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590
methyl 2-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate (CID 115232874) is methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate is COC(=O)CNCc1cc(Cl)c(OC)cc1C.
What is the InChIKey of methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate?
The InChIKey is WYOKSXHCNCVMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8-4-11(16-2)10(13)5-9(8)6-14-7-12(15)17-3/h4-5,14H,6-7H2,1-3H3.
What are the key properties of methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate?
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate has a molecular weight of 257.72 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate is sourced from PubChem (CID 115232874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).