2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride

C15H24ClNO3 — CID 6603017

IUPAC2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride
SMILESCOc1cccc(C(=O)OCCN(C)C(C)(C)C)c1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-15(2,3)16(4)9-10-19-14(17)12-7-6-8-13(11-12)18-5;/h6-8,11H,9-10H2,1-5H3;1H
InChIKeyCWCMCFFTZASMCD-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.00
Rot. Bonds5

About 2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride

2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride (PubChem CID 6603017) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride
PubChem CID6603017
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride
SMILESCOc1cccc(C(=O)OCCN(C)C(C)(C)C)c1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-15(2,3)16(4)9-10-19-14(17)12-7-6-8-13(11-12)18-5;/h6-8,11H,9-10H2,1-5H3;1H
InChIKeyCWCMCFFTZASMCD-UHFFFAOYSA-N
XLogP3.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride?
The IUPAC name of 2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride (CID 6603017) is 2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride.
What is the SMILES notation for 2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride?
The canonical SMILES for 2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride is COc1cccc(C(=O)OCCN(C)C(C)(C)C)c1.Cl.
What is the InChIKey of 2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride?
The InChIKey is CWCMCFFTZASMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-15(2,3)16(4)9-10-19-14(17)12-7-6-8-13(11-12)18-5;/h6-8,11H,9-10H2,1-5H3;1H.
What are the key properties of 2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride?
2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methyl)amino]ethyl 3-methoxybenzoate;hydrochloride is sourced from PubChem (CID 6603017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).