3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline

C11H13ClN2O2 — CID 103562261

IUPAC3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline
SMILESCC1CC(Nc2ccc([N+](=O)[O-])c(Cl)c2)C1
InChIInChI=1S/C11H13ClN2O2/c1-7-4-9(5-7)13-8-2-3-11(14(15)16)10(12)6-8/h2-3,6-7,9,13H,4-5H2,1H3
InChIKeyKBRMUMGPRLAQEF-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.46
Rot. Bonds3

About 3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline

3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline (PubChem CID 103562261) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline.

Molecular Properties

Compound Name3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline
PubChem CID103562261
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline
SMILESCC1CC(Nc2ccc([N+](=O)[O-])c(Cl)c2)C1
InChIInChI=1S/C11H13ClN2O2/c1-7-4-9(5-7)13-8-2-3-11(14(15)16)10(12)6-8/h2-3,6-7,9,13H,4-5H2,1H3
InChIKeyKBRMUMGPRLAQEF-UHFFFAOYSA-N
XLogP3.46
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.46
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-(3-chloro-4-nitrophenyl)oxetan-3-amine
CID 82864147
3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline
CID 82864304
N-(3-chloro-4-nitrophenyl)-2-propan-2-yloxan-4-amine
CID 82865046
(6S)-N-(3-chloro-4-nitrophenyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 82863103
3-chloro-4-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 82865048
N-(4-chloro-3-nitrophenyl)-5-methylthiolan-3-amine
CID 79942460
3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
CID 82864806
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466441
2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
CID 103561486
N-(3-chloro-4-nitrophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 82863100
4-chloro-N-(3-cyclopropylcyclohexyl)-3-nitroaniline
CID 64594680
N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 82863704

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline?
The IUPAC name of 3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline (CID 103562261) is 3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline.
What is the SMILES notation for 3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline?
The canonical SMILES for 3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline is CC1CC(Nc2ccc([N+](=O)[O-])c(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline?
The InChIKey is KBRMUMGPRLAQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7-4-9(5-7)13-8-2-3-11(14(15)16)10(12)6-8/h2-3,6-7,9,13H,4-5H2,1H3.
What are the key properties of 3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline?
3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline has a molecular weight of 240.69 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline is sourced from PubChem (CID 103562261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).