[2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine

C14H20N2O4 — CID 80744445

IUPAC[2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine
SMILESCOc1cc(OCC2CCCC2CN)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-19-13-5-12(16(17)18)6-14(7-13)20-9-11-4-2-3-10(11)8-15/h5-7,10-11H,2-4,8-9,15H2,1H3
InChIKeyUNCLUHOZLIUPHN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.36
Rot. Bonds6

About [2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine

[2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine (PubChem CID 80744445) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine
PubChem CID80744445
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine
SMILESCOc1cc(OCC2CCCC2CN)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-19-13-5-12(16(17)18)6-14(7-13)20-9-11-4-2-3-10(11)8-15/h5-7,10-11H,2-4,8-9,15H2,1H3
InChIKeyUNCLUHOZLIUPHN-UHFFFAOYSA-N
XLogP2.36
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.36
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

[2-[(3-methyl-5-nitrophenoxy)methyl]cyclohexyl]methanamine
CID 115981677
1-(cyclobutylmethoxy)-3-methoxy-5-nitrobenzene;methyl formate
CID 142476868
2-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-ol
CID 81165740
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine
CID 115323428
N-[2-(aminomethyl)cyclohexyl]-3-ethoxy-5-nitroaniline
CID 80744511
3-(3-methoxy-5-nitrophenoxy)propan-1-ol
CID 178030483
2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
CID 81154660
3-(3-methoxy-5-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 81166304
trans-(1R,2R)-2-N-(3-methoxy-5-nitrophenyl)cyclohexane-1,2-diamine
CID 102738670
2-[(3-ethoxy-5-nitrophenoxy)methyl]pyrrolidine
CID 80744438
3-(3-methoxy-5-nitroanilino)cyclohexane-1-carboxylic acid
CID 80743015
3-[cyclobutyl-[(3-methoxy-5-nitrophenyl)methyl]amino]propan-1-ol
CID 102848414

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine (CID 80744445) is [2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine is COc1cc(OCC2CCCC2CN)cc([N+](=O)[O-])c1.
What is the InChIKey of [2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine?
The InChIKey is UNCLUHOZLIUPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-13-5-12(16(17)18)6-14(7-13)20-9-11-4-2-3-10(11)8-15/h5-7,10-11H,2-4,8-9,15H2,1H3.
What are the key properties of [2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine?
[2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine has a molecular weight of 280.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 80744445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).