4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline

C15H21BrN2O2 — CID 43746554

IUPAC4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21BrN2O2/c1-2-3-11-4-7-13(8-5-11)17-14-9-6-12(16)10-15(14)18(19)20/h6,9-11,13,17H,2-5,7-8H2,1H3
InChIKeySMDMEELIIMPIFC-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.13
Rot. Bonds5

About 4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline

4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline (PubChem CID 43746554) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline
PubChem CID43746554
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21BrN2O2/c1-2-3-11-4-7-13(8-5-11)17-14-9-6-12(16)10-15(14)18(19)20/h6,9-11,13,17H,2-5,7-8H2,1H3
InChIKeySMDMEELIIMPIFC-UHFFFAOYSA-N
XLogP5.13
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.13
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

N-(4-bromo-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 43225000
4-bromo-2-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 62896684
2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
CID 103145164
4-[(4-ethylcyclohexyl)amino]-3-nitrobenzoic acid
CID 63537170
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
1-N-(4-bromo-2-nitrophenyl)cyclohexane-1,3-diamine
CID 79458199
2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline
CID 43719007
N-(2-methyl-3-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086869
N-(4-bromo-2-nitrophenyl)-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 133296003
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylazepan-4-amine
CID 65073262
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
CID 63455703
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline?
The IUPAC name of 4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline (CID 43746554) is 4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline is CCCC1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline?
The InChIKey is SMDMEELIIMPIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-2-3-11-4-7-13(8-5-11)17-14-9-6-12(16)10-15(14)18(19)20/h6,9-11,13,17H,2-5,7-8H2,1H3.
What are the key properties of 4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline?
4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline has a molecular weight of 341.25 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline is sourced from PubChem (CID 43746554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).