2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol

C13H19IN2O — CID 66095606

IUPAC2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
SMILESNc1ccc(N(CCO)C2CCCC2)c(I)c1
InChIInChI=1S/C13H19IN2O/c14-12-9-10(15)5-6-13(12)16(7-8-17)11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,15H2
InChIKeyYKBLCNQCAUWIEL-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.61
Rot. Bonds4

About 2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol

2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol (PubChem CID 66095606) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
PubChem CID66095606
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
SMILESNc1ccc(N(CCO)C2CCCC2)c(I)c1
InChIInChI=1S/C13H19IN2O/c14-12-9-10(15)5-6-13(12)16(7-8-17)11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,15H2
InChIKeyYKBLCNQCAUWIEL-UHFFFAOYSA-N
XLogP2.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol?
The IUPAC name of 2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol (CID 66095606) is 2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol.
What is the SMILES notation for 2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol?
The canonical SMILES for 2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol is Nc1ccc(N(CCO)C2CCCC2)c(I)c1.
What is the InChIKey of 2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol?
The InChIKey is YKBLCNQCAUWIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c14-12-9-10(15)5-6-13(12)16(7-8-17)11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,15H2.
What are the key properties of 2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol?
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol has a molecular weight of 346.21 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol is sourced from PubChem (CID 66095606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).