1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol

C10H15ClN2O2 — CID 146277635

IUPAC1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol
SMILESCC(O)c1cccc(N(N)C(C)O)c1Cl
InChIInChI=1S/C10H15ClN2O2/c1-6(14)8-4-3-5-9(10(8)11)13(12)7(2)15/h3-7,14-15H,12H2,1-2H3
InChIKeyPWZSJISUOKZABO-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.41
Rot. Bonds3

About 1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol

1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol (PubChem CID 146277635) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol.

Molecular Properties

Compound Name1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol
PubChem CID146277635
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Name1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol
SMILESCC(O)c1cccc(N(N)C(C)O)c1Cl
InChIInChI=1S/C10H15ClN2O2/c1-6(14)8-4-3-5-9(10(8)11)13(12)7(2)15/h3-7,14-15H,12H2,1-2H3
InChIKeyPWZSJISUOKZABO-UHFFFAOYSA-N
XLogP1.41
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol?
The IUPAC name of 1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol (CID 146277635) is 1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol.
What is the SMILES notation for 1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol?
The canonical SMILES for 1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol is CC(O)c1cccc(N(N)C(C)O)c1Cl.
What is the InChIKey of 1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol?
The InChIKey is PWZSJISUOKZABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-6(14)8-4-3-5-9(10(8)11)13(12)7(2)15/h3-7,14-15H,12H2,1-2H3.
What are the key properties of 1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol?
1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol has a molecular weight of 230.70 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol is sourced from PubChem (CID 146277635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).