methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate

C12H16ClNO2 — CID 43725880

IUPACmethyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-12(2,11(15)16-3)14-8-9-4-6-10(13)7-5-9/h4-7,14H,8H2,1-3H3
InChIKeyVVNMUGRBNPENJS-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.38
Rot. Bonds4

About methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate

methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate (PubChem CID 43725880) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate
PubChem CID43725880
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namemethyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-12(2,11(15)16-3)14-8-9-4-6-10(13)7-5-9/h4-7,14H,8H2,1-3H3
InChIKeyVVNMUGRBNPENJS-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate (CID 43725880) is methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate is COC(=O)C(C)(C)NCc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate?
The InChIKey is VVNMUGRBNPENJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(2,11(15)16-3)14-8-9-4-6-10(13)7-5-9/h4-7,14H,8H2,1-3H3.
What are the key properties of methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate?
methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate has a molecular weight of 241.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 43725880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).