N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine

C14H16N2O3 — CID 81403263

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccco1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O3/c1-10(15-11(2)14-4-3-9-19-14)12-5-7-13(8-6-12)16(17)18/h3-11,15H,1-2H3/t10?,11-/m0/s1
InChIKeyZOBZJSRJXXTNPU-DTIOYNMSSA-N
MW260.29 g/mol
LogP3.60
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine

N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine (PubChem CID 81403263) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine
PubChem CID81403263
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccco1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O3/c1-10(15-11(2)14-4-3-9-19-14)12-5-7-13(8-6-12)16(17)18/h3-11,15H,1-2H3/t10?,11-/m0/s1
InChIKeyZOBZJSRJXXTNPU-DTIOYNMSSA-N
XLogP3.60
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.60
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-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
CID 115345080
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81301586
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518
N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-nitrophenyl)butan-1-amine
CID 81393267
1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 62632904
N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297355

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine (CID 81403263) is N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine is CC(N[C@@H](C)c1ccco1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine?
The InChIKey is ZOBZJSRJXXTNPU-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(15-11(2)14-4-3-9-19-14)12-5-7-13(8-6-12)16(17)18/h3-11,15H,1-2H3/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine?
N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine has a molecular weight of 260.29 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 81403263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).