methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride

C10H13BrClNO2 — CID 154809598

IUPACmethyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride
SMILESCNC(C(=O)OC)c1ccc(Br)cc1.Cl
InChIInChI=1S/C10H12BrNO2.ClH/c1-12-9(10(13)14-2)7-3-5-8(11)6-4-7;/h3-6,9,12H,1-2H3;1H
InChIKeyVVJMRUPTMFHNDZ-UHFFFAOYSA-N
MW294.58 g/mol
LogP2.30
Rot. Bonds3

About methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride

methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride (PubChem CID 154809598) has the molecular formula C10H13BrClNO2 and a molecular weight of 294.58 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride
PubChem CID154809598
Molecular FormulaC10H13BrClNO2
Molecular Weight294.58 g/mol
Exact Mass292.98
IUPAC Namemethyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride
SMILESCNC(C(=O)OC)c1ccc(Br)cc1.Cl
InChIInChI=1S/C10H12BrNO2.ClH/c1-12-9(10(13)14-2)7-3-5-8(11)6-4-7;/h3-6,9,12H,1-2H3;1H
InChIKeyVVJMRUPTMFHNDZ-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride?
The IUPAC name of methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride (CID 154809598) is methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride?
The canonical SMILES for methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride is CNC(C(=O)OC)c1ccc(Br)cc1.Cl.
What is the InChIKey of methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride?
The InChIKey is VVJMRUPTMFHNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2.ClH/c1-12-9(10(13)14-2)7-3-5-8(11)6-4-7;/h3-6,9,12H,1-2H3;1H.
What are the key properties of methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride?
methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride has a molecular weight of 294.58 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-2-(methylamino)acetate;hydrochloride is sourced from PubChem (CID 154809598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).