1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine

C16H16N2O3 — CID 62199762

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine
SMILESNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16N2O3/c17-15(9-11-1-4-14(5-2-11)18(19)20)12-3-6-16-13(10-12)7-8-21-16/h1-6,10,15H,7-9,17H2
InChIKeyCAIFSUCWENASFU-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.77
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine (PubChem CID 62199762) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine
PubChem CID62199762
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine
SMILESNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16N2O3/c17-15(9-11-1-4-14(5-2-11)18(19)20)12-3-6-16-13(10-12)7-8-21-16/h1-6,10,15H,7-9,17H2
InChIKeyCAIFSUCWENASFU-UHFFFAOYSA-N
XLogP2.77
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.77
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-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine 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

2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
CID 61026713
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanenitrile
CID 116940064
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
CID 54927378
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine (CID 62199762) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine is NC(Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine?
The InChIKey is CAIFSUCWENASFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-15(9-11-1-4-14(5-2-11)18(19)20)12-3-6-16-13(10-12)7-8-21-16/h1-6,10,15H,7-9,17H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine has a molecular weight of 284.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 62199762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).