2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol

C14H20N2O3 — CID 133496300

IUPAC2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol
SMILESCc1ccc(NC2CCCC2CCO)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O3/c1-10-5-6-13(14(9-10)16(18)19)15-12-4-2-3-11(12)7-8-17/h5-6,9,11-12,15,17H,2-4,7-8H2,1H3
InChIKeyYKVHQTRZNJZPIZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.87
Rot. Bonds5

About 2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol

2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol (PubChem CID 133496300) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol
PubChem CID133496300
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol
SMILESCc1ccc(NC2CCCC2CCO)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O3/c1-10-5-6-13(14(9-10)16(18)19)15-12-4-2-3-11(12)7-8-17/h5-6,9,11-12,15,17H,2-4,7-8H2,1H3
InChIKeyYKVHQTRZNJZPIZ-UHFFFAOYSA-N
XLogP2.87
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.87
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-(4-methyl-2-nitroanilino)cyclohexyl]methanol
CID 103846647
2-[2-(4-methylsulfonyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496144
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-nitrobenzamide
CID 103703671
2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol
CID 133496347
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
2-[2-(3-ethoxy-2-nitroanilino)cyclopentyl]ethanol
CID 133496156
[2-(4,5-dimethoxy-2-nitroanilino)cyclopentyl]methanol
CID 106361972
2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol
CID 133496220
2-(4-methyl-2-nitroanilino)ethanol
CID 158468910
2,2-dimethyl-3-(4-methyl-2-nitroanilino)propan-1-ol
CID 81411428
N-(4-methyl-2-nitrophenyl)thian-3-amine
CID 55129449
N-(1-cyclobutylpropan-2-yl)-4-methyl-2-nitroaniline
CID 113489778

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol?
The IUPAC name of 2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol (CID 133496300) is 2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol?
The canonical SMILES for 2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol is Cc1ccc(NC2CCCC2CCO)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol?
The InChIKey is YKVHQTRZNJZPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-6-13(14(9-10)16(18)19)15-12-4-2-3-11(12)7-8-17/h5-6,9,11-12,15,17H,2-4,7-8H2,1H3.
What are the key properties of 2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol?
2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol has a molecular weight of 264.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol is sourced from PubChem (CID 133496300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).