4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine

C18H22N2O4 — CID 170871274

IUPAC4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(CCCN2CCOCC2)o1
InChIInChI=1S/C18H22N2O4/c1-14-13-15(20(21)22)4-6-17(14)18-7-5-16(24-18)3-2-8-19-9-11-23-12-10-19/h4-7,13H,2-3,8-12H2,1H3
InChIKeyAIIFXRXKNMMHAP-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.43
Rot. Bonds6

About 4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine

4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine (PubChem CID 170871274) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine
PubChem CID170871274
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(CCCN2CCOCC2)o1
InChIInChI=1S/C18H22N2O4/c1-14-13-15(20(21)22)4-6-17(14)18-7-5-16(24-18)3-2-8-19-9-11-23-12-10-19/h4-7,13H,2-3,8-12H2,1H3
InChIKeyAIIFXRXKNMMHAP-UHFFFAOYSA-N
XLogP3.43
TPSA68.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 119107685
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-4-morpholin-4-ylbutan-1-amine
CID 119108081
N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 170869990
4-[3-(4,5-dimethylfuran-2-yl)propyl]morpholine
CID 170871309
4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine
CID 170871258
4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
CID 66712456
4-[2-(5-nitroindazol-2-yl)ethyl]morpholine
CID 23936574
1-[3-(5-nitro-1-benzofuran-2-yl)propyl]piperazine
CID 170868329
1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone
CID 162740835
4-[3-[1-(4-nitrophenyl)pyrrol-2-yl]propyl]morpholine
CID 170871113
N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588868
3,3-dimethyl-1-(3-morpholin-4-ylpropyl)-5-nitroindol-2-one
CID 141173912

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine (CID 170871274) is 4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine is Cc1cc([N+](=O)[O-])ccc1-c1ccc(CCCN2CCOCC2)o1.
What is the InChIKey of 4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine?
The InChIKey is AIIFXRXKNMMHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-14-13-15(20(21)22)4-6-17(14)18-7-5-16(24-18)3-2-8-19-9-11-23-12-10-19/h4-7,13H,2-3,8-12H2,1H3.
What are the key properties of 4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine?
4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine has a molecular weight of 330.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine is sourced from PubChem (CID 170871274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).