N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine

C16H20N2O3 — CID 61065495

IUPACN-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine
SMILESCCNC(CCc1ccco1)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H20N2O3/c1-2-17-14(9-10-15-7-5-11-21-15)12-13-6-3-4-8-16(13)18(19)20/h3-8,11,14,17H,2,9-10,12H2,1H3
InChIKeyCKEVJXRKTADHLD-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.34
Rot. Bonds8

About N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine

N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine (PubChem CID 61065495) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine
PubChem CID61065495
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine
SMILESCCNC(CCc1ccco1)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H20N2O3/c1-2-17-14(9-10-15-7-5-11-21-15)12-13-6-3-4-8-16(13)18(19)20/h3-8,11,14,17H,2,9-10,12H2,1H3
InChIKeyCKEVJXRKTADHLD-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'}

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Related Compounds

N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61065322
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105116408
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 103053051
N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine
CID 61064607
N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine
CID 55219961
1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine
CID 61064433
N-ethyl-1-(furan-2-yl)-6-phenylhexan-3-amine
CID 105139753
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
4-ethoxy-N-methyl-1-(2-nitrophenyl)butan-2-amine
CID 61078393
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine
CID 63063846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine?
The IUPAC name of N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine (CID 61065495) is N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine is CCNC(CCc1ccco1)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine?
The InChIKey is CKEVJXRKTADHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-17-14(9-10-15-7-5-11-21-15)12-13-6-3-4-8-16(13)18(19)20/h3-8,11,14,17H,2,9-10,12H2,1H3.
What are the key properties of N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine?
N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)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 N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine is sourced from PubChem (CID 61065495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).