N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine

C14H16N2O3 — CID 61065322

IUPACN-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine
SMILESCCNC(Cc1ccccc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C14H16N2O3/c1-2-15-12(14-8-5-9-19-14)10-11-6-3-4-7-13(11)16(17)18/h3-9,12,15H,2,10H2,1H3
InChIKeyPPHCZCLAZZGVCD-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.08
Rot. Bonds6

About N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine

N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine (PubChem CID 61065322) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine
PubChem CID61065322
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine
SMILESCCNC(Cc1ccccc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C14H16N2O3/c1-2-15-12(14-8-5-9-19-14)10-11-6-3-4-7-13(11)16(17)18/h3-9,12,15H,2,10H2,1H3
InChIKeyPPHCZCLAZZGVCD-UHFFFAOYSA-N
XLogP3.08
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.08
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

N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 103114580
N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine
CID 61065495
N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine
CID 61064607
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine
CID 55219961
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
2-(2,5-dichlorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 65321381
N,3-diethyl-1-(furan-2-yl)pentan-1-amine
CID 82922422
N-[2-(2-nitrophenyl)ethyl]pentan-3-amine
CID 55145860
N,2-dimethyl-1-(2-nitrophenyl)pentan-3-amine
CID 63561349

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine (CID 61065322) is N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine is CCNC(Cc1ccccc1[N+](=O)[O-])c1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine?
The InChIKey is PPHCZCLAZZGVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-15-12(14-8-5-9-19-14)10-11-6-3-4-7-13(11)16(17)18/h3-9,12,15H,2,10H2,1H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine?
N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine has a molecular weight of 260.29 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 61065322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).