4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline

C11H13BrN2O2 — CID 115658423

IUPAC4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline
SMILESCN(c1ccc(Br)cc1[N+](=O)[O-])C1CCC1
InChIInChI=1S/C11H13BrN2O2/c1-13(9-3-2-4-9)10-6-5-8(12)7-11(10)14(15)16/h5-7,9H,2-4H2,1H3
InChIKeyAMWYIUCVJJOXCF-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.35
Rot. Bonds3

About 4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline

4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline (PubChem CID 115658423) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline.

Molecular Properties

Compound Name4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline
PubChem CID115658423
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline
SMILESCN(c1ccc(Br)cc1[N+](=O)[O-])C1CCC1
InChIInChI=1S/C11H13BrN2O2/c1-13(9-3-2-4-9)10-6-5-8(12)7-11(10)14(15)16/h5-7,9H,2-4H2,1H3
InChIKeyAMWYIUCVJJOXCF-UHFFFAOYSA-N
XLogP3.35
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.35
H-Bond Donors ≤ 50
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)-N-methylpiperidin-3-amine
CID 63643232
[4-(4-bromo-N-methyl-2-nitroanilino)cyclohexyl]methanol
CID 75362784
(3S)-3-(4-bromo-N-methyl-2-nitroanilino)-1-methylpyrrolidin-2-one
CID 95632445
N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline
CID 2921239
2-(4-bromo-N-cyclobutyl-2-nitroanilino)ethanol
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4-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-nitroaniline
CID 63463503
1-[4-[cycloheptyl(methyl)amino]-3-nitrophenyl]ethanone
CID 43614140
2-(4-bromo-N-cyclopentyl-2-nitroanilino)acetic acid
CID 60839858
4-bromo-N-methyl-N-(3-methylbutan-2-yl)-2-nitroaniline
CID 63463016
N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide
CID 131861820
N-(4-bromo-2-nitrophenyl)-N-(2-methylpropyl)-1-oxothian-4-amine
CID 145351291
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CID 61374136

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline?
The IUPAC name of 4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline (CID 115658423) is 4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline.
What is the SMILES notation for 4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline?
The canonical SMILES for 4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline is CN(c1ccc(Br)cc1[N+](=O)[O-])C1CCC1.
What is the InChIKey of 4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline?
The InChIKey is AMWYIUCVJJOXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-13(9-3-2-4-9)10-6-5-8(12)7-11(10)14(15)16/h5-7,9H,2-4H2,1H3.
What are the key properties of 4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline?
4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline has a molecular weight of 285.14 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline is sourced from PubChem (CID 115658423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).