N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline

C16H24N2O3 — CID 107352216

IUPACN-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline
SMILESCCNc1c(COC2CCC(C)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-3-17-16-13(5-4-6-15(16)18(19)20)11-21-14-9-7-12(2)8-10-14/h4-6,12,14,17H,3,7-11H2,1-2H3
InChIKeyDHCFUGBKHZTZCH-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.12
Rot. Bonds6

About N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline

N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline (PubChem CID 107352216) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline.

Molecular Properties

Compound NameN-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline
PubChem CID107352216
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline
SMILESCCNc1c(COC2CCC(C)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-3-17-16-13(5-4-6-15(16)18(19)20)11-21-14-9-7-12(2)8-10-14/h4-6,12,14,17H,3,7-11H2,1-2H3
InChIKeyDHCFUGBKHZTZCH-UHFFFAOYSA-N
XLogP4.12
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.12
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

2-bromo-1-[(4-methylcyclohexyl)oxymethyl]-3-nitrobenzene
CID 114048711
N-methyl-2-nitro-6-(oxan-4-yloxymethyl)aniline
CID 107352339
N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline
CID 107352178
N-ethyl-2-[2-(2-methylpropoxy)ethoxymethyl]-6-nitroaniline
CID 107352511
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]-6-nitroaniline
CID 107350938
2-(butoxymethyl)-6-nitro-N-propylaniline
CID 107352305
2-(cyclopentylsulfanylmethyl)-N-ethyl-6-nitroaniline
CID 107352739
2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-ethyl-6-nitroaniline
CID 107351601
2-(methoxymethyl)-6-nitro-N-propylaniline
CID 107352092
1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene
CID 107348718
2-[(3-methoxycyclohexyl)oxymethyl]-N-methyl-6-nitroaniline
CID 107352397
1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline?
The IUPAC name of N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline (CID 107352216) is N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline.
What is the SMILES notation for N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline?
The canonical SMILES for N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline is CCNc1c(COC2CCC(C)CC2)cccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline?
The InChIKey is DHCFUGBKHZTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-17-16-13(5-4-6-15(16)18(19)20)11-21-14-9-7-12(2)8-10-14/h4-6,12,14,17H,3,7-11H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline?
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline has a molecular weight of 292.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline is sourced from PubChem (CID 107352216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).