N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine

C14H20N2O3 — CID 176696770

IUPACN,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H20N2O3/c1-15(2)11-3-7-13(8-4-11)19-14-9-5-12(6-10-14)16(17)18/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyPSRMEIYYZDFCKO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.85
Rot. Bonds4

About N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine

N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine (PubChem CID 176696770) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine
PubChem CID176696770
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H20N2O3/c1-15(2)11-3-7-13(8-4-11)19-14-9-5-12(6-10-14)16(17)18/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyPSRMEIYYZDFCKO-UHFFFAOYSA-N
XLogP2.85
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,5-bis(4-nitrophenoxy)cyclooctane
CID 9437151
1-cyclopentyloxy-4-nitrobenzene
CID 19616619
4-(4-nitrophenoxy)oxane
CID 118705229
4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401
(1S,2S,5S)-2-(4-nitrophenoxy)bicyclo[3.2.1]octane
CID 11859471
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine
CID 159183321
(2S)-2-amino-1-[4-(4-nitrophenoxy)piperidin-1-yl]propan-1-one
CID 119334478
[(1R,2S)-2-methylcyclopropyl]-[3-(4-nitrophenoxy)azetidin-1-yl]methanone
CID 99826015
1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
CID 161101282
(2S)-2-methyl-3-(4-nitrophenoxy)oxirane
CID 87324919
1-(2-chlorocyclohexyl)oxy-4-nitrobenzene
CID 70179817
4-(N-methyl-4-nitroanilino)cyclohexan-1-one
CID 79120446

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine (CID 176696770) is N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine is CN(C)C1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine?
The InChIKey is PSRMEIYYZDFCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)11-3-7-13(8-4-11)19-14-9-5-12(6-10-14)16(17)18/h5-6,9-11,13H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine?
N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine is sourced from PubChem (CID 176696770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).