N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine

C13H16N2O — CID 115211873

IUPACN-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine
SMILESCc1ccc(N(C)Cc2cccc(N)c2)o1
InChIInChI=1S/C13H16N2O/c1-10-6-7-13(16-10)15(2)9-11-4-3-5-12(14)8-11/h3-8H,9,14H2,1-2H3
InChIKeySJBGXLOZJLDEJB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.81
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine

N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine (PubChem CID 115211873) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine
PubChem CID115211873
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine
SMILESCc1ccc(N(C)Cc2cccc(N)c2)o1
InChIInChI=1S/C13H16N2O/c1-10-6-7-13(16-10)15(2)9-11-4-3-5-12(14)8-11/h3-8H,9,14H2,1-2H3
InChIKeySJBGXLOZJLDEJB-UHFFFAOYSA-N
XLogP2.81
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 55154379
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422
5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038935
N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60877425
N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 39358275
3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline
CID 43383747
N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine
CID 61253794
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 61426758
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115211829

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine (CID 115211873) is N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine is Cc1ccc(N(C)Cc2cccc(N)c2)o1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine?
The InChIKey is SJBGXLOZJLDEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-6-7-13(16-10)15(2)9-11-4-3-5-12(14)8-11/h3-8H,9,14H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine?
N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine has a molecular weight of 216.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine is sourced from PubChem (CID 115211873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).