ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate

C15H20ClNO3 — CID 104816560

IUPACethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
SMILESCCOC(=O)C(NCC1CC1)c1c(Cl)cccc1OC
InChIInChI=1S/C15H20ClNO3/c1-3-20-15(18)14(17-9-10-7-8-10)13-11(16)5-4-6-12(13)19-2/h4-6,10,14,17H,3,7-9H2,1-2H3
InChIKeyHEOZKPPIJBNEOA-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.95
Rot. Bonds7

About ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate

ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate (PubChem CID 104816560) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
PubChem CID104816560
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Nameethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
SMILESCCOC(=O)C(NCC1CC1)c1c(Cl)cccc1OC
InChIInChI=1S/C15H20ClNO3/c1-3-20-15(18)14(17-9-10-7-8-10)13-11(16)5-4-6-12(13)19-2/h4-6,10,14,17H,3,7-9H2,1-2H3
InChIKeyHEOZKPPIJBNEOA-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
CID 54894456
ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 104816553
ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 61001864
2-(2-chloro-6-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 104816493
ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
CID 54894410
methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate
CID 54894498
2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
2-(2-chloro-6-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 104816476
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
CID 104816578
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532
ethyl 3-(2-chloro-6-methoxyphenyl)-2,2-difluoro-3-hydroxypropanoate
CID 104818468
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate?
The IUPAC name of ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate (CID 104816560) is ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate?
The canonical SMILES for ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate is CCOC(=O)C(NCC1CC1)c1c(Cl)cccc1OC.
What is the InChIKey of ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate?
The InChIKey is HEOZKPPIJBNEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-3-20-15(18)14(17-9-10-7-8-10)13-11(16)5-4-6-12(13)19-2/h4-6,10,14,17H,3,7-9H2,1-2H3.
What are the key properties of ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate?
ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate has a molecular weight of 297.78 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate is sourced from PubChem (CID 104816560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).