2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline

C14H19ClN2O2 — CID 55224392

IUPAC2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline
SMILESCC1CCCCC1CNc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19ClN2O2/c1-10-5-2-3-6-11(10)9-16-14-12(15)7-4-8-13(14)17(18)19/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3
InChIKeyYSWULQNBOBUTTG-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.49
Rot. Bonds4

About 2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline

2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline (PubChem CID 55224392) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline
PubChem CID55224392
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline
SMILESCC1CCCCC1CNc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19ClN2O2/c1-10-5-2-3-6-11(10)9-16-14-12(15)7-4-8-13(14)17(18)19/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3
InChIKeyYSWULQNBOBUTTG-UHFFFAOYSA-N
XLogP4.49
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.49
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

4,5-dichloro-N-[(2-methylcyclopentyl)methyl]-2-nitroaniline
CID 107419088
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-nitroaniline
CID 62084070
2-[(2-methyl-6-nitroanilino)methyl]cyclohexan-1-ol
CID 79003012
5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline
CID 107419302
2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 102741652
2-chloro-N-[(2-methylcyclohexyl)methyl]-5-nitropyrimidin-4-amine
CID 114043241
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
CID 80900155
2-chloro-N-cyclobutyl-6-nitroaniline
CID 62416552
2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
CID 107420673
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)-6-nitroaniline
CID 79561264
2-(2-chloro-6-nitroanilino)ethylazanium
CID 7111827
1-(2-chloro-6-nitroanilino)propan-2-ol
CID 62085143

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline?
The IUPAC name of 2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline (CID 55224392) is 2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline.
What is the SMILES notation for 2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline?
The canonical SMILES for 2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline is CC1CCCCC1CNc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline?
The InChIKey is YSWULQNBOBUTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-5-2-3-6-11(10)9-16-14-12(15)7-4-8-13(14)17(18)19/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3.
What are the key properties of 2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline?
2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline has a molecular weight of 282.77 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline is sourced from PubChem (CID 55224392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).