methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate

C15H22BrFN2O2 — CID 60994239

IUPACmethyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate
SMILESCCN(CC)CCNC(C(=O)OC)c1ccc(Br)cc1F
InChIInChI=1S/C15H22BrFN2O2/c1-4-19(5-2)9-8-18-14(15(20)21-3)12-7-6-11(16)10-13(12)17/h6-7,10,14,18H,4-5,8-9H2,1-3H3
InChIKeySUFKZMGCWCUYFF-UHFFFAOYSA-N
MW361.26 g/mol
LogP2.73
Rot. Bonds8

About methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate

methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate (PubChem CID 60994239) has the molecular formula C15H22BrFN2O2 and a molecular weight of 361.26 g/mol. Its IUPAC name is methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate
PubChem CID60994239
Molecular FormulaC15H22BrFN2O2
Molecular Weight361.26 g/mol
Exact Mass360.08
IUPAC Namemethyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate
SMILESCCN(CC)CCNC(C(=O)OC)c1ccc(Br)cc1F
InChIInChI=1S/C15H22BrFN2O2/c1-4-19(5-2)9-8-18-14(15(20)21-3)12-7-6-11(16)10-13(12)17/h6-7,10,14,18H,4-5,8-9H2,1-3H3
InChIKeySUFKZMGCWCUYFF-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5902
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tert-butyl (2S)-2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
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Methyl 2-amino-2-(4-bromophenyl)acetate hydrochloride
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Methyl 2-(4-bromophenyl)-2-(methylamino)propanoate
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Ethyl 2-(4-bromophenyl)-2-((propan-2-yl)amino)acetate
CID 60786344
2-(4-Bromo-3-fluorophenyl)-2-{[(tert-butoxy)carbonyl]amino}aceticacid
CID 81436663
Methyl 7-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride
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Methyl 2-(4-bromophenyl)-2-(methylamino)acetate hydrochloride
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Methyl 2-(2-bromophenyl)-2-(methylamino)acetate hydrochloride
CID 154832857

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate?
The IUPAC name of methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate (CID 60994239) is methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate.
What is the SMILES notation for methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate?
The canonical SMILES for methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate is CCN(CC)CCNC(C(=O)OC)c1ccc(Br)cc1F.
What is the InChIKey of methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate?
The InChIKey is SUFKZMGCWCUYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O2/c1-4-19(5-2)9-8-18-14(15(20)21-3)12-7-6-11(16)10-13(12)17/h6-7,10,14,18H,4-5,8-9H2,1-3H3.
What are the key properties of methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate?
methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate has a molecular weight of 361.26 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]acetate is sourced from PubChem (CID 60994239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).