2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride

C11H15BrClNO2 — CID 2912299

IUPAC2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride
SMILESCN(C)CCOC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C11H14BrNO2.ClH/c1-13(2)6-7-15-11(14)9-4-3-5-10(12)8-9;/h3-5,8H,6-7H2,1-2H3;1H
InChIKeyVHLCMFQAEOQIHW-UHFFFAOYSA-N
MW308.60 g/mol
LogP2.59
Rot. Bonds4

About 2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride

2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride (PubChem CID 2912299) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride
PubChem CID2912299
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Name2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride
SMILESCN(C)CCOC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C11H14BrNO2.ClH/c1-13(2)6-7-15-11(14)9-4-3-5-10(12)8-9;/h3-5,8H,6-7H2,1-2H3;1H
InChIKeyVHLCMFQAEOQIHW-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl(methyl)amino]ethyl 3-bromobenzoate
CID 659599
2-(dimethylamino)ethyl 3-ethylbenzoate
CID 70999207
5-(3-bromobenzoyl)oxypentyl 3-bromobenzoate
CID 91694636
bis[3-(dimethylamino)propyl] benzene-1,3-dicarboxylate
CID 139953071
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
propyl 3-bromobenzoate;sulfuryl dichloride
CID 174381854
propyl 3-[2-(dimethylamino)ethylamino]benzoate
CID 82096552
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-(dimethylamino)propyl 3-aminobenzoate
CID 114526412
3-(dimethylamino)propyl 3-methoxybenzoate;hydrochloride
CID 2913040
butyl 3-[2-(dimethylamino)ethylamino]benzoate
CID 82096521
2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride (CID 2912299) is 2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride is CN(C)CCOC(=O)c1cccc(Br)c1.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride?
The InChIKey is VHLCMFQAEOQIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2.ClH/c1-13(2)6-7-15-11(14)9-4-3-5-10(12)8-9;/h3-5,8H,6-7H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride?
2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride has a molecular weight of 308.60 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride is sourced from PubChem (CID 2912299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).