1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine

C13H13ClN2O3 — CID 106687794

IUPAC1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccoc1Cl
InChIInChI=1S/C13H13ClN2O3/c1-15-11(10-6-7-19-13(10)14)8-9-4-2-3-5-12(9)16(17)18/h2-7,11,15H,8H2,1H3
InChIKeyFOWUHLSQQUYPNS-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine

1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine (PubChem CID 106687794) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
PubChem CID106687794
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccoc1Cl
InChIInChI=1S/C13H13ClN2O3/c1-15-11(10-6-7-19-13(10)14)8-9-4-2-3-5-12(9)16(17)18/h2-7,11,15H,8H2,1H3
InChIKeyFOWUHLSQQUYPNS-UHFFFAOYSA-N
XLogP3.34
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.34
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

1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080227
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 106687910
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 81481100
N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61078228
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080048
1-(3-chloro-4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 103222354
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61065322

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine (CID 106687794) is 1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine is CNC(Cc1ccccc1[N+](=O)[O-])c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The InChIKey is FOWUHLSQQUYPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-15-11(10-6-7-19-13(10)14)8-9-4-2-3-5-12(9)16(17)18/h2-7,11,15H,8H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine?
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine has a molecular weight of 280.71 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 106687794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).