methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate

C15H21NO3 — CID 116857346

IUPACmethyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
SMILESCCc1ccc(OC)c(C(NC2CC2)C(=O)OC)c1
InChIInChI=1S/C15H21NO3/c1-4-10-5-8-13(18-2)12(9-10)14(15(17)19-3)16-11-6-7-11/h5,8-9,11,14,16H,4,6-7H2,1-3H3
InChIKeyPGLKJBVBEFCBFO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.22
Rot. Bonds6

About methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate

methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate (PubChem CID 116857346) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
PubChem CID116857346
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
SMILESCCc1ccc(OC)c(C(NC2CC2)C(=O)OC)c1
InChIInChI=1S/C15H21NO3/c1-4-10-5-8-13(18-2)12(9-10)14(15(17)19-3)16-11-6-7-11/h5,8-9,11,14,16H,4,6-7H2,1-3H3
InChIKeyPGLKJBVBEFCBFO-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate
CID 54918830
ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate
CID 63632576
methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
CID 60797315
2-(5-bromo-2-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 54894280
2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)propan-1-ol
CID 107669202
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951367
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
methyl 2-(2-methoxy-5-propylphenyl)propanoate
CID 105497841
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
CID 116940702
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate (CID 116857346) is methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate is CCc1ccc(OC)c(C(NC2CC2)C(=O)OC)c1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate?
The InChIKey is PGLKJBVBEFCBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-10-5-8-13(18-2)12(9-10)14(15(17)19-3)16-11-6-7-11/h5,8-9,11,14,16H,4,6-7H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate?
methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate is sourced from PubChem (CID 116857346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).