2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine

C14H18N2O2 — CID 113334945

IUPAC2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine
SMILESO=[N+]([O-])c1ccccc1CNCCC1=CCCC1
InChIInChI=1S/C14H18N2O2/c17-16(18)14-8-4-3-7-13(14)11-15-10-9-12-5-1-2-6-12/h3-5,7-8,15H,1-2,6,9-11H2
InChIKeySTNGSGLNXUMHAV-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.18
Rot. Bonds6

About 2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine

2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine (PubChem CID 113334945) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine
PubChem CID113334945
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine
SMILESO=[N+]([O-])c1ccccc1CNCCC1=CCCC1
InChIInChI=1S/C14H18N2O2/c17-16(18)14-8-4-3-7-13(14)11-15-10-9-12-5-1-2-6-12/h3-5,7-8,15H,1-2,6,9-11H2
InChIKeySTNGSGLNXUMHAV-UHFFFAOYSA-N
XLogP3.18
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 106173882
N-[(5-chloro-2-nitrophenyl)methyl]-2-(cyclohexen-1-yl)ethanamine
CID 78998810
N-[(2-nitrophenyl)methyl]-2-phenylethanamine
CID 2063752
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
N-[(2-nitrophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654094
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine;trihydrochloride
CID 175115663
N-[2-(cyclohexen-1-yl)ethyl]-2-nitrobenzenesulfonamide
CID 805384
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
CID 55061824

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine (CID 113334945) is 2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine is O=[N+]([O-])c1ccccc1CNCCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine?
The InChIKey is STNGSGLNXUMHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-16(18)14-8-4-3-7-13(14)11-15-10-9-12-5-1-2-6-12/h3-5,7-8,15H,1-2,6,9-11H2.
What are the key properties of 2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine?
2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 113334945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).