ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate

C15H19BrN2O3 — CID 71853174

IUPACethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN(C)Cc1cc(Br)cn1C
InChIInChI=1S/C15H19BrN2O3/c1-4-20-15(19)13-5-6-21-14(13)10-17(2)9-12-7-11(16)8-18(12)3/h5-8H,4,9-10H2,1-3H3
InChIKeyZGPQNUXXVRFIGT-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.19
Rot. Bonds6

About ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate

ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate (PubChem CID 71853174) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate
PubChem CID71853174
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Nameethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN(C)Cc1cc(Br)cn1C
InChIInChI=1S/C15H19BrN2O3/c1-4-20-15(19)13-5-6-21-14(13)10-17(2)9-12-7-11(16)8-18(12)3/h5-8H,4,9-10H2,1-3H3
InChIKeyZGPQNUXXVRFIGT-UHFFFAOYSA-N
XLogP3.19
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate
CID 16525393
ethyl 2-[(4-amino-2-bromophenyl)sulfanylmethyl]furan-3-carboxylate
CID 82841021
methyl 6-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-2-methylpyridine-3-carboxylate
CID 133419969
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63579482
methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate
CID 78836764
ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 51072756
ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate
CID 11298725
ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate
CID 18278042
methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate
CID 55627952
ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909106
ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate
CID 65461769
ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate
CID 58729035

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate (CID 71853174) is ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN(C)Cc1cc(Br)cn1C.
What is the InChIKey of ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate?
The InChIKey is ZGPQNUXXVRFIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-4-20-15(19)13-5-6-21-14(13)10-17(2)9-12-7-11(16)8-18(12)3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate?
ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate has a molecular weight of 355.23 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 71853174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).