2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline

C13H17ClN2O2 — CID 103561196

IUPAC2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCC(C)C1CC(Nc2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-8(2)9-5-10(6-9)15-13-4-3-11(16(17)18)7-12(13)14/h3-4,7-10,15H,5-6H2,1-2H3
InChIKeyCWGNNYCDQVIHRK-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.09
Rot. Bonds4

About 2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline

2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline (PubChem CID 103561196) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline.

Molecular Properties

Compound Name2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline
PubChem CID103561196
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCC(C)C1CC(Nc2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-8(2)9-5-10(6-9)15-13-4-3-11(16(17)18)7-12(13)14/h3-4,7-10,15H,5-6H2,1-2H3
InChIKeyCWGNNYCDQVIHRK-UHFFFAOYSA-N
XLogP4.09
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.09
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-(2-chloro-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230646
2-chloro-N-(4-methylcyclohexyl)-4-nitroaniline
CID 43081290
N-(2-chloro-4-nitrophenyl)piperidin-4-amine
CID 43345822
2-chloro-N-(3,3-dimethylcyclopentyl)-4-nitroaniline
CID 80706096
2-chloro-N-(3-methoxycyclohexyl)-4-nitroaniline
CID 103826236
5-chloro-2-methyl-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103562331
N-(2-chloro-4-nitrophenyl)oxepan-4-amine
CID 65081631
5-(2-chloro-4-nitroanilino)piperidin-2-one
CID 62490251
N-(2-chloro-4-nitrophenyl)-2-methyloxolan-3-amine
CID 82727218
N,2-dichloro-4-nitroaniline
CID 57242965
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-[4-(2-chloro-4-nitroanilino)piperidin-1-yl]acetonitrile
CID 63625562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline?
The IUPAC name of 2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline (CID 103561196) is 2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline.
What is the SMILES notation for 2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline?
The canonical SMILES for 2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline is CC(C)C1CC(Nc2ccc([N+](=O)[O-])cc2Cl)C1.
What is the InChIKey of 2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline?
The InChIKey is CWGNNYCDQVIHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(2)9-5-10(6-9)15-13-4-3-11(16(17)18)7-12(13)14/h3-4,7-10,15H,5-6H2,1-2H3.
What are the key properties of 2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline?
2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline has a molecular weight of 268.74 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline is sourced from PubChem (CID 103561196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).