2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine

C14H20N2O2 — CID 63061960

IUPAC2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
SMILESNC1CCCCC1CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(17)18/h2,4,6,8,11,13H,1,3,5,7,9-10,15H2
InChIKeyMWZOONOUQFPOQF-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.04
Rot. Bonds4

About 2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine

2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine (PubChem CID 63061960) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
PubChem CID63061960
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
SMILESNC1CCCCC1CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(17)18/h2,4,6,8,11,13H,1,3,5,7,9-10,15H2
InChIKeyMWZOONOUQFPOQF-UHFFFAOYSA-N
XLogP3.04
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.04
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

2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 63061613
2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062129
2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine
CID 63061787
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
7-[(2-nitrophenyl)methyl]azepan-2-amine
CID 173232486
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
3-(2-nitrophenyl)propan-1-amine
CID 15715793
[1-[2-(2-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 63061791
2-[(4-bromo-2-nitrophenyl)methyl]cycloheptan-1-amine
CID 114381996
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine (CID 63061960) is 2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine is NC1CCCCC1CCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is MWZOONOUQFPOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(17)18/h2,4,6,8,11,13H,1,3,5,7,9-10,15H2.
What are the key properties of 2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine?
2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63061960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).