(2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine

C16H14N2O3 — CID 81430287

IUPAC(2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H14N2O3/c1-10-6-7-11-4-2-3-5-12(11)15(10)16(17)13-8-9-14(21-13)18(19)20/h2-9,16H,17H2,1H3
InChIKeyWOTGPLQYPZPRTO-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.70
Rot. Bonds3

About (2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine

(2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine (PubChem CID 81430287) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine
PubChem CID81430287
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H14N2O3/c1-10-6-7-11-4-2-3-5-12(11)15(10)16(17)13-8-9-14(21-13)18(19)20/h2-9,16H,17H2,1H3
InChIKeyWOTGPLQYPZPRTO-UHFFFAOYSA-N
XLogP3.70
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.70
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'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine?
The IUPAC name of (2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine (CID 81430287) is (2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine.
What is the SMILES notation for (2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine?
The canonical SMILES for (2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine is Cc1ccc2ccccc2c1C(N)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine?
The InChIKey is WOTGPLQYPZPRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-6-7-11-4-2-3-5-12(11)15(10)16(17)13-8-9-14(21-13)18(19)20/h2-9,16H,17H2,1H3.
What are the key properties of (2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine?
(2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine has a molecular weight of 282.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine is sourced from PubChem (CID 81430287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).