ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate

C14H17Cl2NO2 — CID 54894076

IUPACethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-2-19-14(18)13(17-8-9-6-7-9)12-10(15)4-3-5-11(12)16/h3-5,9,13,17H,2,6-8H2,1H3
InChIKeyIHKPQWRODDEODT-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.60
Rot. Bonds6

About ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate

ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate (PubChem CID 54894076) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate
PubChem CID54894076
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Nameethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-2-19-14(18)13(17-8-9-6-7-9)12-10(15)4-3-5-11(12)16/h3-5,9,13,17H,2,6-8H2,1H3
InChIKeyIHKPQWRODDEODT-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate (CID 54894076) is ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate is CCOC(=O)C(NCC1CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate?
The InChIKey is IHKPQWRODDEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-2-19-14(18)13(17-8-9-6-7-9)12-10(15)4-3-5-11(12)16/h3-5,9,13,17H,2,6-8H2,1H3.
What are the key properties of ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate?
ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate has a molecular weight of 302.20 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 54894076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).