2-(4-nitrophenyl)cyclohexan-1-amine

C12H16N2O2 — CID 82242146

IUPAC2-(4-nitrophenyl)cyclohexan-1-amine
SMILESNC1CCCCC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O2/c13-12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(15)16/h5-8,11-12H,1-4,13H2
InChIKeyIATWYCCTXIMYSW-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.58
Rot. Bonds2

About 2-(4-nitrophenyl)cyclohexan-1-amine

2-(4-nitrophenyl)cyclohexan-1-amine (PubChem CID 82242146) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(4-nitrophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-nitrophenyl)cyclohexan-1-amine
PubChem CID82242146
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(4-nitrophenyl)cyclohexan-1-amine
SMILESNC1CCCCC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O2/c13-12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(15)16/h5-8,11-12H,1-4,13H2
InChIKeyIATWYCCTXIMYSW-UHFFFAOYSA-N
XLogP2.58
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.58
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-(4-nitrophenyl)cycloheptane-1-carboxylic acid
CID 82246550
2-(4-nitrophenyl)sulfonylcycloheptan-1-amine
CID 64644932
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
cis-(1R,2R)-2-(4-chlorophenyl)cyclopentan-1-amine
CID 11095547
N-[(1R,2R)-2-aminocycloheptyl]-4-nitrobenzenesulfonamide
CID 86814144
4-(2-aminocyclopentyl)benzonitrile
CID 69112684
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
[(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate
CID 163959997
7-(4-nitrophenyl)-7-azabicyclo[4.1.0]heptane
CID 15469334
3-(4-nitrophenyl)spiro[3.3]heptane
CID 175862298
2-(4-nitrophenyl)thian-4-amine
CID 178190365

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)cyclohexan-1-amine?
The IUPAC name of 2-(4-nitrophenyl)cyclohexan-1-amine (CID 82242146) is 2-(4-nitrophenyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(4-nitrophenyl)cyclohexan-1-amine?
The canonical SMILES for 2-(4-nitrophenyl)cyclohexan-1-amine is NC1CCCCC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)cyclohexan-1-amine?
The InChIKey is IATWYCCTXIMYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(15)16/h5-8,11-12H,1-4,13H2.
What are the key properties of 2-(4-nitrophenyl)cyclohexan-1-amine?
2-(4-nitrophenyl)cyclohexan-1-amine has a molecular weight of 220.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)cyclohexan-1-amine is sourced from PubChem (CID 82242146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).