2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

C16H24N2O3 — CID 63828219

IUPAC2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
SMILESCc1c(CNCCOC2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-13-14(6-5-9-16(13)18(19)20)12-17-10-11-21-15-7-3-2-4-8-15/h5-6,9,15,17H,2-4,7-8,10-12H2,1H3
InChIKeyKUKRFVDKGDIQID-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.34
Rot. Bonds7

About 2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine (PubChem CID 63828219) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
PubChem CID63828219
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
SMILESCc1c(CNCCOC2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-13-14(6-5-9-16(13)18(19)20)12-17-10-11-21-15-7-3-2-4-8-15/h5-6,9,15,17H,2-4,7-8,10-12H2,1H3
InChIKeyKUKRFVDKGDIQID-UHFFFAOYSA-N
XLogP3.34
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 43591038
N-[(2-methyl-3-nitrophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 103114868
N-[(2-methyl-3-nitrophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104760132
N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035
2-[3-[(2-methyl-3-nitrophenyl)methylamino]propoxy]ethanol
CID 106309658
2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 106173882
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 62406103
(1R)-1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 81385412
4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
CID 43508989
N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine
CID 83113145
2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid
CID 115461994

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine (CID 63828219) is 2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine is Cc1c(CNCCOC2CCCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The InChIKey is KUKRFVDKGDIQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13-14(6-5-9-16(13)18(19)20)12-17-10-11-21-15-7-3-2-4-8-15/h5-6,9,15,17H,2-4,7-8,10-12H2,1H3.
What are the key properties of 2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine has a molecular weight of 292.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 63828219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).