[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine

C14H20N2O2 — CID 65394636

IUPAC[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine
SMILESNCC1(CCc2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C14H20N2O2/c15-11-14(8-3-4-9-14)10-7-12-5-1-2-6-13(12)16(17)18/h1-2,5-6H,3-4,7-11,15H2
InChIKeySUKWDBBVWGAGNN-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.05
Rot. Bonds5

About [1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine

[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine (PubChem CID 65394636) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine
PubChem CID65394636
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine
SMILESNCC1(CCc2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C14H20N2O2/c15-11-14(8-3-4-9-14)10-7-12-5-1-2-6-13(12)16(17)18/h1-2,5-6H,3-4,7-11,15H2
InChIKeySUKWDBBVWGAGNN-UHFFFAOYSA-N
XLogP3.05
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-nitrophenyl)methyl]cycloheptyl]methanamine
CID 65391894
[3-[2-(2-nitrophenyl)ethyl]oxolan-3-yl]methanamine
CID 65393225
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
1-[2-(2-nitrophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 65194906
1-[2-(2-nitrophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 66025957
3-(2-nitrophenyl)propan-1-amine
CID 15715793
1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine
CID 106827568
[1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424678
1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
CID 63062447
4-(2-nitrophenyl)butan-1-amine;hydrochloride
CID 11322189
[1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine
CID 82404323
N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63821333

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine?
The IUPAC name of [1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine (CID 65394636) is [1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine is NCC1(CCc2ccccc2[N+](=O)[O-])CCCC1.
What is the InChIKey of [1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine?
The InChIKey is SUKWDBBVWGAGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-11-14(8-3-4-9-14)10-7-12-5-1-2-6-13(12)16(17)18/h1-2,5-6H,3-4,7-11,15H2.
What are the key properties of [1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine?
[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine has a molecular weight of 248.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine is sourced from PubChem (CID 65394636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).