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

C15H18N2O3 — CID 65153343

IUPAC2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCc1oc(C)c(C(N)Cc2ccccc2[N+](=O)[O-])c1C
InChIInChI=1S/C15H18N2O3/c1-9-10(2)20-11(3)15(9)13(16)8-12-6-4-5-7-14(12)17(18)19/h4-7,13H,8,16H2,1-3H3
InChIKeyYKDDPLCRSZWLHR-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.36
Rot. Bonds4

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

2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 65153343) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID65153343
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCc1oc(C)c(C(N)Cc2ccccc2[N+](=O)[O-])c1C
InChIInChI=1S/C15H18N2O3/c1-9-10(2)20-11(3)15(9)13(16)8-12-6-4-5-7-14(12)17(18)19/h4-7,13H,8,16H2,1-3H3
InChIKeyYKDDPLCRSZWLHR-UHFFFAOYSA-N
XLogP3.36
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.36
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-bis(2-nitrophenyl)ethanamine
CID 145318541
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153486
1-(3-chloro-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 81323338
1-(2-nitrophenyl)nonan-2-amine
CID 61078660
2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475379
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 62504909
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
1-(2-methylheptyl)-2-nitrobenzene
CID 170184203
(2S)-4-(2-nitrophenyl)butan-2-amine
CID 93264337
1-(2,2-dimethoxyethyl)-2-nitrobenzene
CID 10330783

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 65153343) is 2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is Cc1oc(C)c(C(N)Cc2ccccc2[N+](=O)[O-])c1C.
What is the InChIKey of 2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is YKDDPLCRSZWLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-10(2)20-11(3)15(9)13(16)8-12-6-4-5-7-14(12)17(18)19/h4-7,13H,8,16H2,1-3H3.
What are the key properties of 2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 274.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 65153343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).