4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine

C16H20N2O3 — CID 61221200

IUPAC4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine
SMILESCC(CCc1ccco1)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H20N2O3/c1-13(4-9-16-3-2-12-21-16)17-11-10-14-5-7-15(8-6-14)18(19)20/h2-3,5-8,12-13,17H,4,9-11H2,1H3
InChIKeyCCQBHZBAQJRUAZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.34
Rot. Bonds8

About 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine

4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine (PubChem CID 61221200) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine
PubChem CID61221200
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine
SMILESCC(CCc1ccco1)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H20N2O3/c1-13(4-9-16-3-2-12-21-16)17-11-10-14-5-7-15(8-6-14)18(19)20/h2-3,5-8,12-13,17H,4,9-11H2,1H3
InChIKeyCCQBHZBAQJRUAZ-UHFFFAOYSA-N
XLogP3.34
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
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'}

Analyze 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 80682006
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]butan-2-amine
CID 103777711
N-[(2S)-4-(furan-2-yl)butan-2-yl]-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 41355631
4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine
CID 61220619
N-[(2-chloro-6-nitrophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 63745804
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
CID 103888310
N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
CID 103902199
4-[2-(4-nitrophenyl)ethylamino]butan-2-ol
CID 64912488

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine (CID 61221200) is 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine is CC(CCc1ccco1)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine?
The InChIKey is CCQBHZBAQJRUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-13(4-9-16-3-2-12-21-16)17-11-10-14-5-7-15(8-6-14)18(19)20/h2-3,5-8,12-13,17H,4,9-11H2,1H3.
What are the key properties of 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine?
4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine has a molecular weight of 288.35 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine is sourced from PubChem (CID 61221200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).