[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol

C13H18N2O4 — CID 115733413

IUPAC[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
SMILESCOc1ccc(CNC2(CO)CCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-19-12-4-3-10(7-11(12)15(17)18)8-14-13(9-16)5-2-6-13/h3-4,7,14,16H,2,5-6,8-9H2,1H3
InChIKeyYMECDWLMMKDOAZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.61
Rot. Bonds6

About [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol

[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol (PubChem CID 115733413) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
PubChem CID115733413
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
SMILESCOc1ccc(CNC2(CO)CCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-19-12-4-3-10(7-11(12)15(17)18)8-14-13(9-16)5-2-6-13/h3-4,7,14,16H,2,5-6,8-9H2,1H3
InChIKeyYMECDWLMMKDOAZ-UHFFFAOYSA-N
XLogP1.61
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62523971
[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524809
[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 62519917
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
2-[(4-methoxy-3-nitrophenyl)methylamino]propan-1-ol
CID 43499927
3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
CID 65039851
2-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutan-1-ol
CID 79249779
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842
1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol
CID 111425458
N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870600
3-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutan-1-ol
CID 111469020

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol (CID 115733413) is [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol is COc1ccc(CNC2(CO)CCC2)cc1[N+](=O)[O-].
What is the InChIKey of [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol?
The InChIKey is YMECDWLMMKDOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-12-4-3-10(7-11(12)15(17)18)8-14-13(9-16)5-2-6-13/h3-4,7,14,16H,2,5-6,8-9H2,1H3.
What are the key properties of [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol?
[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol has a molecular weight of 266.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 115733413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).