1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

C16H24N2O2 — CID 62406103

IUPAC1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
SMILESCc1c(CNC(C)C2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O2/c1-12-15(9-6-10-16(12)18(19)20)11-17-13(2)14-7-4-3-5-8-14/h6,9-10,13-14,17H,3-5,7-8,11H2,1-2H3
InChIKeySMXPLIYTCSVFGP-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.96
Rot. Bonds5

About 1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine (PubChem CID 62406103) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
PubChem CID62406103
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
SMILESCc1c(CNC(C)C2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O2/c1-12-15(9-6-10-16(12)18(19)20)11-17-13(2)14-7-4-3-5-8-14/h6,9-10,13-14,17H,3-5,7-8,11H2,1-2H3
InChIKeySMXPLIYTCSVFGP-UHFFFAOYSA-N
XLogP3.96
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.96
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

(1R)-1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 81385412
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349341
(1S)-N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclopentylethanamine
CID 81394826
N-[(2-nitrophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103901284
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384533
N-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]propanamide
CID 54950720
(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine
CID 104916362
methyl 2-cyclopropyl-2-[(2-methyl-3-nitrophenyl)methylamino]acetate
CID 103096992
N-[(2-methyl-3-nitrophenyl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 103114742
(2R)-2-[(2-methyl-3-nitrophenyl)methylamino]propanoic acid
CID 83194932
4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
CID 43508989

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine (CID 62406103) is 1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine is Cc1c(CNC(C)C2CCCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The InChIKey is SMXPLIYTCSVFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-15(9-6-10-16(12)18(19)20)11-17-13(2)14-7-4-3-5-8-14/h6,9-10,13-14,17H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine has a molecular weight of 276.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 62406103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).