ethyl 4-(cyclopropylmethylamino)benzoate

C13H17NO2 — CID 43654962

IUPACethyl 4-(cyclopropylmethylamino)benzoate
SMILESCCOC(=O)c1ccc(NCC2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)11-5-7-12(8-6-11)14-9-10-3-4-10/h5-8,10,14H,2-4,9H2,1H3
InChIKeyKYDWGMLGLSQECM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.69
Rot. Bonds5

About ethyl 4-(cyclopropylmethylamino)benzoate

ethyl 4-(cyclopropylmethylamino)benzoate (PubChem CID 43654962) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 4-(cyclopropylmethylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylmethylamino)benzoate
PubChem CID43654962
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl 4-(cyclopropylmethylamino)benzoate
SMILESCCOC(=O)c1ccc(NCC2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)11-5-7-12(8-6-11)14-9-10-3-4-10/h5-8,10,14H,2-4,9H2,1H3
InChIKeyKYDWGMLGLSQECM-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
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ethyl 4-(thian-4-ylamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropylmethylamino)benzoate?
The IUPAC name of ethyl 4-(cyclopropylmethylamino)benzoate (CID 43654962) is ethyl 4-(cyclopropylmethylamino)benzoate.
What is the SMILES notation for ethyl 4-(cyclopropylmethylamino)benzoate?
The canonical SMILES for ethyl 4-(cyclopropylmethylamino)benzoate is CCOC(=O)c1ccc(NCC2CC2)cc1.
What is the InChIKey of ethyl 4-(cyclopropylmethylamino)benzoate?
The InChIKey is KYDWGMLGLSQECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-13(15)11-5-7-12(8-6-11)14-9-10-3-4-10/h5-8,10,14H,2-4,9H2,1H3.
What are the key properties of ethyl 4-(cyclopropylmethylamino)benzoate?
ethyl 4-(cyclopropylmethylamino)benzoate has a molecular weight of 219.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropylmethylamino)benzoate is sourced from PubChem (CID 43654962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).