1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine

C15H18N2O3 — CID 62632904

IUPAC1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cccc([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C15H18N2O3/c1-3-14(15-8-5-9-20-15)16-11(2)12-6-4-7-13(10-12)17(18)19/h4-11,14,16H,3H2,1-2H3
InChIKeySPSZMWGDKNEZFI-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.99
Rot. Bonds6

About 1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine

1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine (PubChem CID 62632904) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
PubChem CID62632904
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cccc([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C15H18N2O3/c1-3-14(15-8-5-9-20-15)16-11(2)12-6-4-7-13(10-12)17(18)19/h4-11,14,16H,3H2,1-2H3
InChIKeySPSZMWGDKNEZFI-UHFFFAOYSA-N
XLogP3.99
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.99
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-[(1R)-1-(furan-2-yl)ethyl]-1-(3-nitrophenyl)butan-1-amine
CID 81393267
1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine
CID 63842993
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
(2S)-2-[1-(3-nitrophenyl)ethylamino]butan-1-ol
CID 104980376
1-(3-nitrophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62841318
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
1-methylsulfanyl-N-[1-(3-nitrophenyl)ethyl]butan-2-amine
CID 113350913
N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62633798
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine (CID 62632904) is 1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine is CCC(NC(C)c1cccc([N+](=O)[O-])c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
The InChIKey is SPSZMWGDKNEZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-14(15-8-5-9-20-15)16-11(2)12-6-4-7-13(10-12)17(18)19/h4-11,14,16H,3H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine has a molecular weight of 274.32 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 62632904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).