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

C14H16N2O2 — CID 54939111

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide
SMILESCN(Cc1ccccc1CN)C(=O)c1ccoc1
InChIInChI=1S/C14H16N2O2/c1-16(14(17)13-6-7-18-10-13)9-12-5-3-2-4-11(12)8-15/h2-7,10H,8-9,15H2,1H3
InChIKeyHLMIBHPMKRYBRE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.01
Rot. Bonds4

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

N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide (PubChem CID 54939111) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide
PubChem CID54939111
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide
SMILESCN(Cc1ccccc1CN)C(=O)c1ccoc1
InChIInChI=1S/C14H16N2O2/c1-16(14(17)13-6-7-18-10-13)9-12-5-3-2-4-11(12)8-15/h2-7,10H,8-9,15H2,1H3
InChIKeyHLMIBHPMKRYBRE-UHFFFAOYSA-N
XLogP2.01
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
CID 60922714
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
CID 60922987
N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide
CID 43458127
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 54939157
N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 65151871
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-2-carboxamide
CID 54939155
N-butyl-N-methylfuran-3-carboxamide
CID 110855744
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721274
1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea
CID 107653273
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide (CID 54939111) is N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide is CN(Cc1ccccc1CN)C(=O)c1ccoc1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide?
The InChIKey is HLMIBHPMKRYBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16(14(17)13-6-7-18-10-13)9-12-5-3-2-4-11(12)8-15/h2-7,10H,8-9,15H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.01, 4 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-methylfuran-3-carboxamide is sourced from PubChem (CID 54939111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).