3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine

C14H16N2O3 — CID 117048678

IUPAC3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine
SMILESCC(CN)(Cc1ccco1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O3/c1-14(10-15,9-13-3-2-8-19-13)11-4-6-12(7-5-11)16(17)18/h2-8H,9-10,15H2,1H3
InChIKeyODHLSMNWBAZMCP-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.65
Rot. Bonds5

About 3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine

3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine (PubChem CID 117048678) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine
PubChem CID117048678
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine
SMILESCC(CN)(Cc1ccco1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O3/c1-14(10-15,9-13-3-2-8-19-13)11-4-6-12(7-5-11)16(17)18/h2-8H,9-10,15H2,1H3
InChIKeyODHLSMNWBAZMCP-UHFFFAOYSA-N
XLogP2.65
TPSA82.30 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 ≤ 52.65
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

2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048648
2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile
CID 117048670
3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine
CID 117048652
3-methyl-3-(4-nitrophenyl)butan-1-amine
CID 67545065
3-methyl-3-(4-nitrophenyl)pentanedioic acid
CID 13495587
2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048660
1-(2,3-dimethylbutan-2-yl)-4-nitrobenzene
CID 121011525
2-chloro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-5-nitrobenzamide
CID 90605055
2-amino-2-(4-nitrophenyl)propan-1-ol
CID 55268506
1-N-(furan-2-ylmethyl)-1-N-methyl-4-nitrobenzene-1,2-diamine
CID 62506135
3-N-[2-(furan-2-yl)ethyl]-5-nitrobenzene-1,3-diamine
CID 80804045
1-[2-methyl-1-[2-methyl-2-(4-nitrophenyl)butoxy]butan-2-yl]-4-nitrobenzene
CID 57114959

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine (CID 117048678) is 3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine is CC(CN)(Cc1ccco1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine?
The InChIKey is ODHLSMNWBAZMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(10-15,9-13-3-2-8-19-13)11-4-6-12(7-5-11)16(17)18/h2-8H,9-10,15H2,1H3.
What are the key properties of 3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine?
3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine has a molecular weight of 260.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine is sourced from PubChem (CID 117048678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).