2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine

C13H18N2O2 — CID 63061613

IUPAC2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O2/c14-12-6-3-5-10(12)8-9-11-4-1-2-7-13(11)15(16)17/h1-2,4,7,10,12H,3,5-6,8-9,14H2
InChIKeyJFCLLLWCKFEZCT-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine

2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine (PubChem CID 63061613) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
PubChem CID63061613
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O2/c14-12-6-3-5-10(12)8-9-11-4-1-2-7-13(11)15(16)17/h1-2,4,7,10,12H,3,5-6,8-9,14H2
InChIKeyJFCLLLWCKFEZCT-UHFFFAOYSA-N
XLogP2.65
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
CID 63061960
2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine
CID 63061787
2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062129
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688
2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine
CID 55035798
7-[(2-nitrophenyl)methyl]azepan-2-amine
CID 173232486
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713
3-(2-nitrophenyl)propan-1-amine
CID 15715793
[1-[2-(2-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 63061791
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine (CID 63061613) is 2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine is NC1CCCC1CCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine?
The InChIKey is JFCLLLWCKFEZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-6-3-5-10(12)8-9-11-4-1-2-7-13(11)15(16)17/h1-2,4,7,10,12H,3,5-6,8-9,14H2.
What are the key properties of 2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine?
2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 63061613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).