N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine

C12H16N2O3 — CID 63335701

IUPACN-[2-(4-nitrophenyl)ethyl]oxolan-3-amine
SMILESO=[N+]([O-])c1ccc(CCNC2CCOC2)cc1
InChIInChI=1S/C12H16N2O3/c15-14(16)12-3-1-10(2-4-12)5-7-13-11-6-8-17-9-11/h1-4,11,13H,5-9H2
InChIKeyCHYSDGWOAMWJDL-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.52
Rot. Bonds5

About N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine

N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine (PubChem CID 63335701) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]oxolan-3-amine
PubChem CID63335701
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[2-(4-nitrophenyl)ethyl]oxolan-3-amine
SMILESO=[N+]([O-])c1ccc(CCNC2CCOC2)cc1
InChIInChI=1S/C12H16N2O3/c15-14(16)12-3-1-10(2-4-12)5-7-13-11-6-8-17-9-11/h1-4,11,13H,5-9H2
InChIKeyCHYSDGWOAMWJDL-UHFFFAOYSA-N
XLogP1.52
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.52
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-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
1-[2-(4-nitrophenyl)ethyl]-3-(oxan-4-yl)urea
CID 110632856
4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072287
N-[2-(4-nitrophenyl)ethyl]azepan-4-amine
CID 103981778
1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 61219668
N-[2-(4-nitrophenyl)ethyl]-1,1-dioxothian-3-amine
CID 63923818
N-[(2-chloro-4-nitrophenyl)methyl]oxolan-3-amine
CID 80713830
2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 61220239
N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine
CID 115735964
2-[2-(4-nitrophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103243126
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine
CID 95627828

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine (CID 63335701) is N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine is O=[N+]([O-])c1ccc(CCNC2CCOC2)cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine?
The InChIKey is CHYSDGWOAMWJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-14(16)12-3-1-10(2-4-12)5-7-13-11-6-8-17-9-11/h1-4,11,13H,5-9H2.
What are the key properties of N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine?
N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine has a molecular weight of 236.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 63335701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).