tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate

C14H20ClNO3 — CID 115635465

IUPACtert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
SMILESCOc1cccc(Cl)c1CNCC(=O)OC(C)(C)C
InChIInChI=1S/C14H20ClNO3/c1-14(2,3)19-13(17)9-16-8-10-11(15)6-5-7-12(10)18-4/h5-7,16H,8-9H2,1-4H3
InChIKeyDWIUTLMXUOEFPY-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.78
Rot. Bonds5

About tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate

tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate (PubChem CID 115635465) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
PubChem CID115635465
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nametert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
SMILESCOc1cccc(Cl)c1CNCC(=O)OC(C)(C)C
InChIInChI=1S/C14H20ClNO3/c1-14(2,3)19-13(17)9-16-8-10-11(15)6-5-7-12(10)18-4/h5-7,16H,8-9H2,1-4H3
InChIKeyDWIUTLMXUOEFPY-UHFFFAOYSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740278
tert-butyl N-[(2-chloro-6-methoxyphenyl)methylamino]carbamate
CID 107236678
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 115676191
methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate
CID 113456323
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide
CID 103292213
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate
CID 103292979
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate (CID 115635465) is tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate is COc1cccc(Cl)c1CNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate?
The InChIKey is DWIUTLMXUOEFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-14(2,3)19-13(17)9-16-8-10-11(15)6-5-7-12(10)18-4/h5-7,16H,8-9H2,1-4H3.
What are the key properties of tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate?
tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate has a molecular weight of 285.77 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate is sourced from PubChem (CID 115635465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).