2-(4-amino-3-chloroanilino)ethanol

C8H11ClN2O — CID 54315994

IUPAC2-(4-amino-3-chloroanilino)ethanol
SMILESNc1ccc(NCCO)cc1Cl
InChIInChI=1S/C8H11ClN2O/c9-7-5-6(11-3-4-12)1-2-8(7)10/h1-2,5,11-12H,3-4,10H2
InChIKeySOFDDZBNYSTLLZ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.33
Rot. Bonds3

About 2-(4-amino-3-chloroanilino)ethanol

2-(4-amino-3-chloroanilino)ethanol (PubChem CID 54315994) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(4-amino-3-chloroanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-3-chloroanilino)ethanol
PubChem CID54315994
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(4-amino-3-chloroanilino)ethanol
SMILESNc1ccc(NCCO)cc1Cl
InChIInChI=1S/C8H11ClN2O/c9-7-5-6(11-3-4-12)1-2-8(7)10/h1-2,5,11-12H,3-4,10H2
InChIKeySOFDDZBNYSTLLZ-UHFFFAOYSA-N
XLogP1.33
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-chloro-4-N-ethylbenzene-1,4-diamine
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2-amino-5-(2-hydroxyethylamino)benzonitrile
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6-(3,4-dichloroanilino)hexan-1-ol
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2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol
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2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
2-amino-4-(2-hydroxyethylamino)benzoic acid
CID 175322504
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-[4-amino-3-(2-methoxyethyl)anilino]ethanol
CID 57193962
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
CID 154637919

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chloroanilino)ethanol?
The IUPAC name of 2-(4-amino-3-chloroanilino)ethanol (CID 54315994) is 2-(4-amino-3-chloroanilino)ethanol.
What is the SMILES notation for 2-(4-amino-3-chloroanilino)ethanol?
The canonical SMILES for 2-(4-amino-3-chloroanilino)ethanol is Nc1ccc(NCCO)cc1Cl.
What is the InChIKey of 2-(4-amino-3-chloroanilino)ethanol?
The InChIKey is SOFDDZBNYSTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-7-5-6(11-3-4-12)1-2-8(7)10/h1-2,5,11-12H,3-4,10H2.
What are the key properties of 2-(4-amino-3-chloroanilino)ethanol?
2-(4-amino-3-chloroanilino)ethanol has a molecular weight of 186.64 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chloroanilino)ethanol is sourced from PubChem (CID 54315994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).