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

C11H14N2O3 — CID 117317956

IUPAC2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol
SMILESNCC1(c2cc([N+](=O)[O-])ccc2O)CCC1
InChIInChI=1S/C11H14N2O3/c12-7-11(4-1-5-11)9-6-8(13(15)16)2-3-10(9)14/h2-3,6,14H,1,4-5,7,12H2
InChIKeyGLQUCLARVZHILO-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.68
Rot. Bonds3

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

2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol (PubChem CID 117317956) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol
PubChem CID117317956
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol
SMILESNCC1(c2cc([N+](=O)[O-])ccc2O)CCC1
InChIInChI=1S/C11H14N2O3/c12-7-11(4-1-5-11)9-6-8(13(15)16)2-3-10(9)14/h2-3,6,14H,1,4-5,7,12H2
InChIKeyGLQUCLARVZHILO-UHFFFAOYSA-N
XLogP1.68
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.68
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)cyclopentyl]-4-nitrophenol
CID 117344881
[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine
CID 83412444
[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine
CID 83412144
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 107744548
2-(aminomethyl)-4-nitrophenol
CID 2115073
[1-(4-nitrophenyl)cyclopropyl]methanamine
CID 16641700
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
CID 117424334
cyclohexene;4-nitrobenzene-1,2-diol
CID 174564201
3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid
CID 117324797
1-(2-amino-5-nitrophenyl)cyclohexane-1-carboxylic acid
CID 106702474
4,4-dimethyl-7-nitro-2,3-dihydro-1H-naphthalene
CID 13463290

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol (CID 117317956) is 2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol is NCC1(c2cc([N+](=O)[O-])ccc2O)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol?
The InChIKey is GLQUCLARVZHILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-7-11(4-1-5-11)9-6-8(13(15)16)2-3-10(9)14/h2-3,6,14H,1,4-5,7,12H2.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol?
2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol has a molecular weight of 222.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol is sourced from PubChem (CID 117317956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).