methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride

C8H12ClNO3 — CID 86812264

IUPACmethyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
SMILESCNCc1ccc(C(=O)OC)o1.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-9-5-6-3-4-7(12-6)8(10)11-2;/h3-4,9H,5H2,1-2H3;1H
InChIKeyOSWDIEIVJJMNEQ-UHFFFAOYSA-N
MW205.64 g/mol
LogP1.21
Rot. Bonds3

About methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride

methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride (PubChem CID 86812264) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
PubChem CID86812264
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Namemethyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
SMILESCNCc1ccc(C(=O)OC)o1.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-9-5-6-3-4-7(12-6)8(10)11-2;/h3-4,9H,5H2,1-2H3;1H
InChIKeyOSWDIEIVJJMNEQ-UHFFFAOYSA-N
XLogP1.21
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-[(4-nitroanilino)methyl]furan-2-carboxylate
CID 43222339
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
methyl 5-[(2,6-dibromoanilino)methyl]furan-2-carboxylate
CID 107597258
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate
CID 167803726
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride (CID 86812264) is methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride is CNCc1ccc(C(=O)OC)o1.Cl.
What is the InChIKey of methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride?
The InChIKey is OSWDIEIVJJMNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.ClH/c1-9-5-6-3-4-7(12-6)8(10)11-2;/h3-4,9H,5H2,1-2H3;1H.
What are the key properties of methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride?
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 86812264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).