methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate

C16H18ClNO3 — CID 81375393

IUPACmethyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN[C@H](C)c2ccccc2Cl)oc1C
InChIInChI=1S/C16H18ClNO3/c1-10(13-6-4-5-7-15(13)17)18-9-12-8-14(11(2)21-12)16(19)20-3/h4-8,10,18H,9H2,1-3H3/t10-/m1/s1
InChIKeyCJPGHCQVWMHQOC-SNVBAGLBSA-N
MW307.78 g/mol
LogP3.88
Rot. Bonds5

About methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 81375393) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID81375393
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Namemethyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN[C@H](C)c2ccccc2Cl)oc1C
InChIInChI=1S/C16H18ClNO3/c1-10(13-6-4-5-7-15(13)17)18-9-12-8-14(11(2)21-12)16(19)20-3/h4-8,10,18H,9H2,1-3H3/t10-/m1/s1
InChIKeyCJPGHCQVWMHQOC-SNVBAGLBSA-N
XLogP3.88
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81400076
methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate
CID 81401586
5-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103260191
methyl 5-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81347530
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81357144
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7844560
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
methyl 5-[(2-chloro-4-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 37477190
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-1H-pyrrole-2-carboxylate
CID 81377603

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 81375393) is methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN[C@H](C)c2ccccc2Cl)oc1C.
What is the InChIKey of methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is CJPGHCQVWMHQOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10(13-6-4-5-7-15(13)17)18-9-12-8-14(11(2)21-12)16(19)20-3/h4-8,10,18H,9H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 307.78 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 81375393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).