2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine

C12H16N2O3 — CID 113395415

IUPAC2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine
SMILESCc1cc(OC2CCCC2N)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O3/c1-8-5-9(14(15)16)7-10(6-8)17-12-4-2-3-11(12)13/h5-7,11-12H,2-4,13H2,1H3
InChIKeyWEBSPMWLUDJIRQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.16
Rot. Bonds3

About 2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine

2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine (PubChem CID 113395415) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine
PubChem CID113395415
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine
SMILESCc1cc(OC2CCCC2N)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O3/c1-8-5-9(14(15)16)7-10(6-8)17-12-4-2-3-11(12)13/h5-7,11-12H,2-4,13H2,1H3
InChIKeyWEBSPMWLUDJIRQ-UHFFFAOYSA-N
XLogP2.16
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.16
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

3-(3-methyl-5-nitrophenoxy)cyclobutan-1-amine
CID 112649717
3-(3-methyl-5-nitrophenoxy)piperidine
CID 112649701
3-(3-methyl-5-nitrophenoxy)pyrrolidine
CID 112649692
[2-[(3-methyl-5-nitrophenoxy)methyl]cyclohexyl]methanamine
CID 115981677
1-fluoro-3-(2-methylcyclohexyl)oxy-5-nitrobenzene
CID 80752281
[(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate
CID 163959997
N-methyl-1-[3-(3-methyl-5-nitrophenoxy)cyclobutyl]methanamine
CID 112649718
2-[(3-methyl-5-nitrophenoxy)methyl]piperidine
CID 112649703
(3-methyl-5-nitrophenyl) methanesulfonate
CID 151073917
2-(3-nitrophenoxy)cyclopentan-1-ol
CID 60878979
trans-(1R,2R)-2-N-(3-methoxy-5-nitrophenyl)cyclohexane-1,2-diamine
CID 102738670
2-(3-methoxyphenoxy)cyclopentan-1-amine
CID 16796159

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine?
The IUPAC name of 2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine (CID 113395415) is 2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine.
What is the SMILES notation for 2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine?
The canonical SMILES for 2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine is Cc1cc(OC2CCCC2N)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine?
The InChIKey is WEBSPMWLUDJIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-5-9(14(15)16)7-10(6-8)17-12-4-2-3-11(12)13/h5-7,11-12H,2-4,13H2,1H3.
What are the key properties of 2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine?
2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine has a molecular weight of 236.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-nitrophenoxy)cyclopentan-1-amine is sourced from PubChem (CID 113395415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).