2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine

C16H24N2O2 — CID 142706093

IUPAC2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine
SMILESCc1ccc([N+](=O)[O-])c(CNCCC2CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-7-8-16(18(19)20)15(11-13)12-17-10-9-14-5-3-2-4-6-14/h7-8,11,14,17H,2-6,9-10,12H2,1H3
InChIKeyDDMUBVMMAQRGRV-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.96
Rot. Bonds6

About 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine

2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine (PubChem CID 142706093) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine
PubChem CID142706093
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine
SMILESCc1ccc([N+](=O)[O-])c(CNCCC2CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-7-8-16(18(19)20)15(11-13)12-17-10-9-14-5-3-2-4-6-14/h7-8,11,14,17H,2-6,9-10,12H2,1H3
InChIKeyDDMUBVMMAQRGRV-UHFFFAOYSA-N
XLogP3.96
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine
CID 78998881
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
N-[(4-bromo-2-nitrophenyl)methyl]-2-cyclopentylethanamine
CID 114381112
N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline
CID 55223628
N-[(2-chloro-5-nitrophenyl)methyl]-2-cyclohexylethanamine
CID 63448659
2-cyclobutyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349447
N-[(5-methyl-2-nitrophenyl)methyl]-3-phenylpropan-1-amine
CID 142706091
N-[(2-chloro-6-nitrophenyl)methyl]-2-cyclohexylethanamine
CID 63745632
N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline
CID 104757559
1-N-(2-cyclopentylethyl)-4-nitrobenzene-1,3-diamine
CID 106749030
2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine
CID 60732590
N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
CID 79034338

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine (CID 142706093) is 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine is Cc1ccc([N+](=O)[O-])c(CNCCC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine?
The InChIKey is DDMUBVMMAQRGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-7-8-16(18(19)20)15(11-13)12-17-10-9-14-5-3-2-4-6-14/h7-8,11,14,17H,2-6,9-10,12H2,1H3.
What are the key properties of 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine?
2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine has a molecular weight of 276.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 142706093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).