N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide

C16H20N2O2 — CID 114818487

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide
SMILESCCN(Cc1ccccc1CN)C(=O)c1coc(C)c1
InChIInChI=1S/C16H20N2O2/c1-3-18(16(19)15-8-12(2)20-11-15)10-14-7-5-4-6-13(14)9-17/h4-8,11H,3,9-10,17H2,1-2H3
InChIKeyDGVSHBPDEYPMTE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.71
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide

N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide (PubChem CID 114818487) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide
PubChem CID114818487
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide
SMILESCCN(Cc1ccccc1CN)C(=O)c1coc(C)c1
InChIInChI=1S/C16H20N2O2/c1-3-18(16(19)15-8-12(2)20-11-15)10-14-7-5-4-6-13(14)9-17/h4-8,11H,3,9-10,17H2,1-2H3
InChIKeyDGVSHBPDEYPMTE-UHFFFAOYSA-N
XLogP2.71
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide
CID 106752308
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
CID 60923256
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
CID 54939690
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide
CID 114822209
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide
CID 113374706
N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 43459243
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545
N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide
CID 114818480
N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide
CID 114818479
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide
CID 107493394

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide (CID 114818487) is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide is CCN(Cc1ccccc1CN)C(=O)c1coc(C)c1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide?
The InChIKey is DGVSHBPDEYPMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-18(16(19)15-8-12(2)20-11-15)10-14-7-5-4-6-13(14)9-17/h4-8,11H,3,9-10,17H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114818487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).