methyl 3-bromo-2-(ethylamino)-5-methylbenzoate

C11H14BrNO2 — CID 18802802

IUPACmethyl 3-bromo-2-(ethylamino)-5-methylbenzoate
SMILESCCNc1c(Br)cc(C)cc1C(=O)OC
InChIInChI=1S/C11H14BrNO2/c1-4-13-10-8(11(14)15-3)5-7(2)6-9(10)12/h5-6,13H,4H2,1-3H3
InChIKeyFJQQELDCFCBLJB-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.98
Rot. Bonds3

About methyl 3-bromo-2-(ethylamino)-5-methylbenzoate

methyl 3-bromo-2-(ethylamino)-5-methylbenzoate (PubChem CID 18802802) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is methyl 3-bromo-2-(ethylamino)-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-bromo-2-(ethylamino)-5-methylbenzoate
PubChem CID18802802
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Namemethyl 3-bromo-2-(ethylamino)-5-methylbenzoate
SMILESCCNc1c(Br)cc(C)cc1C(=O)OC
InChIInChI=1S/C11H14BrNO2/c1-4-13-10-8(11(14)15-3)5-7(2)6-9(10)12/h5-6,13H,4H2,1-3H3
InChIKeyFJQQELDCFCBLJB-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-bromo-2-[2-(3,5-dimethylphenoxy)ethylamino]-5-methylbenzoate
CID 18802820
methyl 3-bromo-5-methyl-2-[4-(4-methylphenoxy)butylamino]benzoate
CID 18802854
methyl 2-bromo-5-methylbenzoate
CID 15110996
methyl 3-(ethylamino)-5-methylbenzoate
CID 58789800
methyl 3,5-dibromo-2-(hexylamino)benzoate
CID 63451536
methyl 2-bromo-3-hydroxy-5-methylbenzoate
CID 86112744
2-[(2-amino-2-oxoethyl)amino]-3-bromo-5-methylbenzoic acid
CID 18802739
methyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 116654064
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
methyl 3,5-dibromo-2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoate
CID 81412150
3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 155666970
methyl 3-ethyl-2-methoxy-5-methylbenzoate
CID 20687255

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-2-(ethylamino)-5-methylbenzoate?
The IUPAC name of methyl 3-bromo-2-(ethylamino)-5-methylbenzoate (CID 18802802) is methyl 3-bromo-2-(ethylamino)-5-methylbenzoate.
What is the SMILES notation for methyl 3-bromo-2-(ethylamino)-5-methylbenzoate?
The canonical SMILES for methyl 3-bromo-2-(ethylamino)-5-methylbenzoate is CCNc1c(Br)cc(C)cc1C(=O)OC.
What is the InChIKey of methyl 3-bromo-2-(ethylamino)-5-methylbenzoate?
The InChIKey is FJQQELDCFCBLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-4-13-10-8(11(14)15-3)5-7(2)6-9(10)12/h5-6,13H,4H2,1-3H3.
What are the key properties of methyl 3-bromo-2-(ethylamino)-5-methylbenzoate?
methyl 3-bromo-2-(ethylamino)-5-methylbenzoate has a molecular weight of 272.14 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-2-(ethylamino)-5-methylbenzoate is sourced from PubChem (CID 18802802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).