2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol

C10H15ClN2O2 — CID 61243728

IUPAC2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol
SMILESNc1cccc(Cl)c1N(CCO)CCO
InChIInChI=1S/C10H15ClN2O2/c11-8-2-1-3-9(12)10(8)13(4-6-14)5-7-15/h1-3,14-15H,4-7,12H2
InChIKeyHKWFGSPTOBUNBW-UHFFFAOYSA-N
MW230.69 g/mol
LogP0.71
Rot. Bonds5

About 2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol

2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 61243728) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID61243728
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol
SMILESNc1cccc(Cl)c1N(CCO)CCO
InChIInChI=1S/C10H15ClN2O2/c11-8-2-1-3-9(12)10(8)13(4-6-14)5-7-15/h1-3,14-15H,4-7,12H2
InChIKeyHKWFGSPTOBUNBW-UHFFFAOYSA-N
XLogP0.71
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol (CID 61243728) is 2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol is Nc1cccc(Cl)c1N(CCO)CCO.
What is the InChIKey of 2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is HKWFGSPTOBUNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c11-8-2-1-3-9(12)10(8)13(4-6-14)5-7-15/h1-3,14-15H,4-7,12H2.
What are the key properties of 2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol?
2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 230.69 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 61243728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).