[4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine

C16H24N2O2 — CID 65393433

IUPAC[4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(CCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-13-6-9-16(12-17,10-7-13)11-8-14-2-4-15(5-3-14)18(19)20/h2-5,13H,6-12,17H2,1H3
InChIKeyFAPXBDVIAVBZIR-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.68
Rot. Bonds5

About [4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine

[4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine (PubChem CID 65393433) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine
PubChem CID65393433
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(CCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-13-6-9-16(12-17,10-7-13)11-8-14-2-4-15(5-3-14)18(19)20/h2-5,13H,6-12,17H2,1H3
InChIKeyFAPXBDVIAVBZIR-UHFFFAOYSA-N
XLogP3.68
TPSA69.16 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 ≤ 53.68
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

3-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
CID 65420937
4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
CID 65420963
3-methyl-1-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 65420076
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121
4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65420529
4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine
CID 65419636
1-[(4-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 65421598
1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119907439
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
ethane;1-nitro-4-propylbenzene
CID 123575523
[1-(4-nitrophenyl)cyclopropyl]methanamine
CID 16641700
2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 79831906

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine (CID 65393433) is [4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine is CC1CCC(CN)(CCc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of [4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine?
The InChIKey is FAPXBDVIAVBZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-9-16(12-17,10-7-13)11-8-14-2-4-15(5-3-14)18(19)20/h2-5,13H,6-12,17H2,1H3.
What are the key properties of [4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine?
[4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine has a molecular weight of 276.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 65393433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).