ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride

C19H22ClNO2 — CID 19385933

IUPACethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride
SMILESCCOC(=O)C(N)C1c2ccccc2CCc2ccccc21.Cl
InChIInChI=1S/C19H21NO2.ClH/c1-2-22-19(21)18(20)17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17;/h3-10,17-18H,2,11-12,20H2,1H3;1H
InChIKeyWELOUMPFJZYDFB-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.23
Rot. Bonds3

About ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride

ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride (PubChem CID 19385933) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride
PubChem CID19385933
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Nameethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride
SMILESCCOC(=O)C(N)C1c2ccccc2CCc2ccccc21.Cl
InChIInChI=1S/C19H21NO2.ClH/c1-2-22-19(21)18(20)17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17;/h3-10,17-18H,2,11-12,20H2,1H3;1H
InChIKeyWELOUMPFJZYDFB-UHFFFAOYSA-N
XLogP3.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride (CID 19385933) is ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride is CCOC(=O)C(N)C1c2ccccc2CCc2ccccc21.Cl.
What is the InChIKey of ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride?
The InChIKey is WELOUMPFJZYDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.ClH/c1-2-22-19(21)18(20)17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17;/h3-10,17-18H,2,11-12,20H2,1H3;1H.
What are the key properties of ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride?
ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride is sourced from PubChem (CID 19385933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).