2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol

C12H16N2O3 — CID 117344881

IUPAC2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol
SMILESNCC1(c2cc([N+](=O)[O-])ccc2O)CCCC1
InChIInChI=1S/C12H16N2O3/c13-8-12(5-1-2-6-12)10-7-9(14(16)17)3-4-11(10)15/h3-4,7,15H,1-2,5-6,8,13H2
InChIKeyHCIUIWJSPYESJZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.07
Rot. Bonds3

About 2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol

2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol (PubChem CID 117344881) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol
PubChem CID117344881
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol
SMILESNCC1(c2cc([N+](=O)[O-])ccc2O)CCCC1
InChIInChI=1S/C12H16N2O3/c13-8-12(5-1-2-6-12)10-7-9(14(16)17)3-4-11(10)15/h3-4,7,15H,1-2,5-6,8,13H2
InChIKeyHCIUIWJSPYESJZ-UHFFFAOYSA-N
XLogP2.07
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
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

2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol
CID 117317956
[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine
CID 83412144
[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine
CID 83412444
1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 107744548
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
CID 117424334
2-(aminomethyl)-4-nitrophenol
CID 2115073
[1-(4-nitrophenyl)cyclopropyl]methanamine
CID 16641700
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
1-(2-amino-5-nitrophenyl)cyclohexane-1-carboxylic acid
CID 106702474
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol
CID 175318205
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol (CID 117344881) is 2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol is NCC1(c2cc([N+](=O)[O-])ccc2O)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol?
The InChIKey is HCIUIWJSPYESJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-8-12(5-1-2-6-12)10-7-9(14(16)17)3-4-11(10)15/h3-4,7,15H,1-2,5-6,8,13H2.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol?
2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol has a molecular weight of 236.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol is sourced from PubChem (CID 117344881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).