1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine

C15H18N2O3 — CID 103114580

IUPAC1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc([N+](=O)[O-])c1C)c1ccco1
InChIInChI=1S/C15H18N2O3/c1-3-13(15-8-5-9-20-15)16-10-12-6-4-7-14(11(12)2)17(18)19/h4-9,13,16H,3,10H2,1-2H3
InChIKeyVTRPEFLOALLIHG-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.74
Rot. Bonds6

About 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine

1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine (PubChem CID 103114580) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
PubChem CID103114580
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc([N+](=O)[O-])c1C)c1ccco1
InChIInChI=1S/C15H18N2O3/c1-3-13(15-8-5-9-20-15)16-10-12-6-4-7-14(11(12)2)17(18)19/h4-9,13,16H,3,10H2,1-2H3
InChIKeyVTRPEFLOALLIHG-UHFFFAOYSA-N
XLogP3.74
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61065322
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
(2R)-2-[(2-methyl-3-nitrophenyl)methylamino]propanoic acid
CID 83194932
methyl 2-methyl-3-[(2-methyl-3-nitrophenyl)methylamino]butanoate
CID 103114865
N-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]propanamide
CID 54950720
N-[(2-methyl-3-nitrophenyl)methyl]octan-2-amine
CID 63491545
N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
N-[(2-methyl-3-nitrophenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 113477303
1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114698636
(1R)-1-(2-bromophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 81379184

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine (CID 103114580) is 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine is CCC(NCc1cccc([N+](=O)[O-])c1C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine?
The InChIKey is VTRPEFLOALLIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-13(15-8-5-9-20-15)16-10-12-6-4-7-14(11(12)2)17(18)19/h4-9,13,16H,3,10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine?
1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine has a molecular weight of 274.32 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine is sourced from PubChem (CID 103114580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).