(5-nitrofuran-2-yl)-phenylmethanamine

C11H10N2O3 — CID 43463910

IUPAC(5-nitrofuran-2-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H10N2O3/c12-11(8-4-2-1-3-5-8)9-6-7-10(16-9)13(14)15/h1-7,11H,12H2
InChIKeyRETQJFWPOWSJDP-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.24
Rot. Bonds3

About (5-nitrofuran-2-yl)-phenylmethanamine

(5-nitrofuran-2-yl)-phenylmethanamine (PubChem CID 43463910) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (5-nitrofuran-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(5-nitrofuran-2-yl)-phenylmethanamine
PubChem CID43463910
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(5-nitrofuran-2-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H10N2O3/c12-11(8-4-2-1-3-5-8)9-6-7-10(16-9)13(14)15/h1-7,11H,12H2
InChIKeyRETQJFWPOWSJDP-UHFFFAOYSA-N
XLogP2.24
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.24
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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Related Compounds

(3,4-dimethylphenyl)-(5-nitrofuran-2-yl)methanamine
CID 43384480
(3,4-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine
CID 43384511
2,3-dihydro-1,4-benzodioxin-6-yl-(5-nitrofuran-2-yl)methanamine
CID 43463989
(2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine
CID 81430287
(4-nitrophenyl)-phenylmethanamine
CID 19975165
2-amino-3-hydroxy-3-(5-nitrofuran-2-yl)propanoic acid
CID 66206757
(2,5-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine
CID 43384513
(2,5-dichlorothiophen-3-yl)-(5-nitrofuran-2-yl)methanamine
CID 43464794
(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171313434
(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171198348
(S)-cyclobutyl-(5-nitrofuran-2-yl)methanamine;hydrochloride
CID 171217872
(1S)-1-(5-nitrofuran-2-yl)butane-1,4-diamine;hydrochloride
CID 171217848

Frequently Asked Questions

What is the IUPAC name of (5-nitrofuran-2-yl)-phenylmethanamine?
The IUPAC name of (5-nitrofuran-2-yl)-phenylmethanamine (CID 43463910) is (5-nitrofuran-2-yl)-phenylmethanamine.
What is the SMILES notation for (5-nitrofuran-2-yl)-phenylmethanamine?
The canonical SMILES for (5-nitrofuran-2-yl)-phenylmethanamine is NC(c1ccccc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (5-nitrofuran-2-yl)-phenylmethanamine?
The InChIKey is RETQJFWPOWSJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-11(8-4-2-1-3-5-8)9-6-7-10(16-9)13(14)15/h1-7,11H,12H2.
What are the key properties of (5-nitrofuran-2-yl)-phenylmethanamine?
(5-nitrofuran-2-yl)-phenylmethanamine has a molecular weight of 218.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrofuran-2-yl)-phenylmethanamine is sourced from PubChem (CID 43463910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).