3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine

C10H11ClN2O3 — CID 66352004

IUPAC3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2cc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C10H11ClN2O3/c11-6-1-2-9(13(14)15)10(3-6)16-8-4-7(12)5-8/h1-3,7-8H,4-5,12H2
InChIKeyOVFWZQJTJLTNOT-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.12
Rot. Bonds3

About 3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine

3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine (PubChem CID 66352004) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine
PubChem CID66352004
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2cc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C10H11ClN2O3/c11-6-1-2-9(13(14)15)10(3-6)16-8-4-7(12)5-8/h1-3,7-8H,4-5,12H2
InChIKeyOVFWZQJTJLTNOT-UHFFFAOYSA-N
XLogP2.12
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.12
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

(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207
3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine
CID 66077267
3-(3-aminocyclobutyl)oxy-N,N-dimethyl-4-nitrobenzamide
CID 82989033
3-(5-chloro-2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943636
3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine
CID 66350739
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
3-(2,4-dichlorophenoxy)cyclobutan-1-amine
CID 66359762
2-(3-bromo-2,2-diethylcyclobutyl)oxy-4-chloro-1-nitrobenzene
CID 66344119
4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
4-chloro-2-(chloromethoxy)-1-nitrobenzene
CID 79529891
2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343806
[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol
CID 106825751

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine (CID 66352004) is 3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine is NC1CC(Oc2cc(Cl)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine?
The InChIKey is OVFWZQJTJLTNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-6-1-2-9(13(14)15)10(3-6)16-8-4-7(12)5-8/h1-3,7-8H,4-5,12H2.
What are the key properties of 3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine?
3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine has a molecular weight of 242.66 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66352004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).