[3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine

C13H18N2O4 — CID 65393020

IUPAC[3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CC1(CN)CCOC1
InChIInChI=1S/C13H18N2O4/c1-18-12-3-2-11(15(16)17)6-10(12)7-13(8-14)4-5-19-9-13/h2-3,6H,4-5,7-9,14H2,1H3
InChIKeyMUYOXEPQNZWICR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.51
Rot. Bonds5

About [3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine

[3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine (PubChem CID 65393020) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine
PubChem CID65393020
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CC1(CN)CCOC1
InChIInChI=1S/C13H18N2O4/c1-18-12-3-2-11(15(16)17)6-10(12)7-13(8-14)4-5-19-9-13/h2-3,6H,4-5,7-9,14H2,1H3
InChIKeyMUYOXEPQNZWICR-UHFFFAOYSA-N
XLogP1.51
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine
CID 65020246
4-(aminomethyl)-N-[(2-methoxy-5-nitrophenyl)methyl]oxane-4-carboxamide
CID 120927015
[4-[(2-bromo-4-nitrophenyl)methyl]oxan-4-yl]methanamine
CID 65395301
4-[(2-methoxy-5-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 63129673
2-[(2-methoxy-5-nitrophenyl)methyl]thiolane-2-carboxylic acid
CID 83174589
1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine
CID 65421156
3-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140525
methyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370815
N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine
CID 62548144
bis[2-[(1-ethylcyclopropyl)methyl]-4-nitrophenyl] carbonate
CID 162350988
N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797970
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine (CID 65393020) is [3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine is COc1ccc([N+](=O)[O-])cc1CC1(CN)CCOC1.
What is the InChIKey of [3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine?
The InChIKey is MUYOXEPQNZWICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-12-3-2-11(15(16)17)6-10(12)7-13(8-14)4-5-19-9-13/h2-3,6H,4-5,7-9,14H2,1H3.
What are the key properties of [3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine?
[3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine has a molecular weight of 266.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 65393020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).