2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine

C15H20N2O3 — CID 104510309

IUPAC2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine
SMILESNC1(CCc2ccccc2[N+](=O)[O-])CCOC1C1CC1
InChIInChI=1S/C15H20N2O3/c16-15(9-10-20-14(15)12-5-6-12)8-7-11-3-1-2-4-13(11)17(18)19/h1-4,12,14H,5-10,16H2
InChIKeySUFXNNCQQKBJFW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.42
Rot. Bonds5

About 2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine

2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine (PubChem CID 104510309) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine
PubChem CID104510309
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine
SMILESNC1(CCc2ccccc2[N+](=O)[O-])CCOC1C1CC1
InChIInChI=1S/C15H20N2O3/c16-15(9-10-20-14(15)12-5-6-12)8-7-11-3-1-2-4-13(11)17(18)19/h1-4,12,14H,5-10,16H2
InChIKeySUFXNNCQQKBJFW-UHFFFAOYSA-N
XLogP2.42
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.42
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

1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
[3-[2-(2-nitrophenyl)ethyl]oxolan-3-yl]methanamine
CID 65393225
[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine
CID 65394636
1-[2-(2-nitrophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 66025957
7,7-dimethyl-N-[(2-nitrophenyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863148
1-[2-(2-nitrophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 65194906
8,8-dimethyl-N-[(2-nitrophenyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865386
3-acetyl-3-[2-(2-nitrophenyl)ethyl]oxolan-2-one
CID 103343802
3-[(5-chloro-2-nitrophenyl)methyl]-2-methyloxolan-3-amine
CID 114535393
2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine
CID 83033151
2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 63061613
2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
CID 63061960

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine (CID 104510309) is 2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine is NC1(CCc2ccccc2[N+](=O)[O-])CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine?
The InChIKey is SUFXNNCQQKBJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(9-10-20-14(15)12-5-6-12)8-7-11-3-1-2-4-13(11)17(18)19/h1-4,12,14H,5-10,16H2.
What are the key properties of 2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine?
2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine has a molecular weight of 276.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 104510309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).