N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine

C13H18N2O3 — CID 102634472

IUPACN-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O3/c1-14-12-4-2-3-5-13(12)18-11-8-6-10(7-9-11)15(16)17/h6-9,12-14H,2-5H2,1H3
InChIKeyDWQRYBZAMOEAHJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.50
Rot. Bonds4

About N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine

N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine (PubChem CID 102634472) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine
PubChem CID102634472
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O3/c1-14-12-4-2-3-5-13(12)18-11-8-6-10(7-9-11)15(16)17/h6-9,12-14H,2-5H2,1H3
InChIKeyDWQRYBZAMOEAHJ-UHFFFAOYSA-N
XLogP2.50
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
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

N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 102634307
2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine
CID 102634184
1-(2-chlorocyclohexyl)oxy-4-nitrobenzene
CID 70179817
N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine
CID 102634672
4-[2-(methylamino)cyclohexyl]oxybenzonitrile
CID 102634794
trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride
CID 24837203
N-methyl-2-(2-nitrophenoxy)cyclohexan-1-amine
CID 102634561
1-cyclopentyloxy-4-nitrobenzene
CID 19616619
1,5-bis(4-nitrophenoxy)cyclooctane
CID 9437151
[2-(methylamino)cyclohexyl] N-(3-nitrophenyl)carbamate
CID 102635463
2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633182
N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 102634395

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine (CID 102634472) is N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine is CNC1CCCCC1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine?
The InChIKey is DWQRYBZAMOEAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-12-4-2-3-5-13(12)18-11-8-6-10(7-9-11)15(16)17/h6-9,12-14H,2-5H2,1H3.
What are the key properties of N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine?
N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine has a molecular weight of 250.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine is sourced from PubChem (CID 102634472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).