2-(2-bromo-4-nitroanilino)cyclohexan-1-ol

C12H15BrN2O3 — CID 55063752

IUPAC2-(2-bromo-4-nitroanilino)cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(NC2CCCCC2O)c(Br)c1
InChIInChI=1S/C12H15BrN2O3/c13-9-7-8(15(17)18)5-6-10(9)14-11-3-1-2-4-12(11)16/h5-7,11-12,14,16H,1-4H2
InChIKeyOWVOTMZCSWFWGZ-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.07
Rot. Bonds3

About 2-(2-bromo-4-nitroanilino)cyclohexan-1-ol

2-(2-bromo-4-nitroanilino)cyclohexan-1-ol (PubChem CID 55063752) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(2-bromo-4-nitroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-bromo-4-nitroanilino)cyclohexan-1-ol
PubChem CID55063752
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name2-(2-bromo-4-nitroanilino)cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(NC2CCCCC2O)c(Br)c1
InChIInChI=1S/C12H15BrN2O3/c13-9-7-8(15(17)18)5-6-10(9)14-11-3-1-2-4-12(11)16/h5-7,11-12,14,16H,1-4H2
InChIKeyOWVOTMZCSWFWGZ-UHFFFAOYSA-N
XLogP3.07
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.07
H-Bond Donors ≤ 52
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-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
CID 62359446
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
2-(2-bromo-4-nitroanilino)cyclopentane-1-carboxylic acid
CID 64818204
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
2-bromo-N-(3-methylcyclohexyl)-4-nitroaniline
CID 43742254
N-(2-bromo-4-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083383
2-[2-bromo-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 115511652
2-(2,6-dichloro-4-nitroanilino)cycloheptan-1-ol
CID 106891661
N-[(1S,2R)-2-hydroxycyclohexyl]-4-nitrobenzenesulfonamide
CID 40617850
cis-(1R,2S)-2-N-(2,4-dinitrophenyl)cyclohexane-1,2-diamine
CID 40507750
N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43742304

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-nitroanilino)cyclohexan-1-ol?
The IUPAC name of 2-(2-bromo-4-nitroanilino)cyclohexan-1-ol (CID 55063752) is 2-(2-bromo-4-nitroanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-bromo-4-nitroanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(2-bromo-4-nitroanilino)cyclohexan-1-ol is O=[N+]([O-])c1ccc(NC2CCCCC2O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-nitroanilino)cyclohexan-1-ol?
The InChIKey is OWVOTMZCSWFWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-9-7-8(15(17)18)5-6-10(9)14-11-3-1-2-4-12(11)16/h5-7,11-12,14,16H,1-4H2.
What are the key properties of 2-(2-bromo-4-nitroanilino)cyclohexan-1-ol?
2-(2-bromo-4-nitroanilino)cyclohexan-1-ol has a molecular weight of 315.17 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-nitroanilino)cyclohexan-1-ol is sourced from PubChem (CID 55063752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).