2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine

C14H20N2O4 — CID 81154770

IUPAC2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
SMILESCOc1cc(CNC2CCCC2OC)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-19-12-7-10(6-11(8-12)16(17)18)9-15-13-4-3-5-14(13)20-2/h6-8,13-15H,3-5,9H2,1-2H3
InChIKeyZPIBHDPDWDIKAW-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.26
Rot. Bonds6

About 2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine

2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine (PubChem CID 81154770) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
PubChem CID81154770
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
SMILESCOc1cc(CNC2CCCC2OC)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-19-12-7-10(6-11(8-12)16(17)18)9-15-13-4-3-5-14(13)20-2/h6-8,13-15H,3-5,9H2,1-2H3
InChIKeyZPIBHDPDWDIKAW-UHFFFAOYSA-N
XLogP2.26
TPSA73.63 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 ≤ 52.26
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

N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 81155477
2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine
CID 62087311
N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 62086414
N-[(3-methoxy-5-nitrophenyl)methyl]oxan-3-amine
CID 81154406
N-[(3-methoxy-5-nitrophenyl)methyl]-1,1-dioxothian-3-amine
CID 81144605
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
CID 81154660
2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine
CID 62086600
N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine
CID 112646753
N-[(3-ethoxy-5-nitrophenyl)methyl]cyclopropanamine
CID 69079422
2-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-ol
CID 81165740
1-[(3-methoxy-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 81166533

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine (CID 81154770) is 2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine is COc1cc(CNC2CCCC2OC)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine?
The InChIKey is ZPIBHDPDWDIKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-12-7-10(6-11(8-12)16(17)18)9-15-13-4-3-5-14(13)20-2/h6-8,13-15H,3-5,9H2,1-2H3.
What are the key properties of 2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine?
2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine has a molecular weight of 280.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 81154770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).