methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate

C15H21NO3 — CID 54894498

IUPACmethyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate
SMILESCCOc1ccccc1C(NCC1CC1)C(=O)OC
InChIInChI=1S/C15H21NO3/c1-3-19-13-7-5-4-6-12(13)14(15(17)18-2)16-10-11-8-9-11/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyFDGFDGYZTVXGRG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.30
Rot. Bonds7

About methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate

methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate (PubChem CID 54894498) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate
PubChem CID54894498
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate
SMILESCCOc1ccccc1C(NCC1CC1)C(=O)OC
InChIInChI=1S/C15H21NO3/c1-3-19-13-7-5-4-6-12(13)14(15(17)18-2)16-10-11-8-9-11/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyFDGFDGYZTVXGRG-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate
CID 63969784
2-(cyclohexylamino)-2-(2-ethoxyphenyl)acetamide
CID 60997548
2-(cyclohexylmethylamino)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 3873364
ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate
CID 61001735
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol
CID 83974412
ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
CID 104816560
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
[3-cyclopropyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105260782
2-(2-bromophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60996640

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate (CID 54894498) is methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate is CCOc1ccccc1C(NCC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate?
The InChIKey is FDGFDGYZTVXGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-13-7-5-4-6-12(13)14(15(17)18-2)16-10-11-8-9-11/h4-7,11,14,16H,3,8-10H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate?
methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate is sourced from PubChem (CID 54894498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).