2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol

C10H15ClN2O — CID 60960377

IUPAC2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc(N)ccc1Cl
InChIInChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyIYAVXYPOCJIRMT-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.35
Rot. Bonds4

About 2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol

2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol (PubChem CID 60960377) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol
PubChem CID60960377
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc(N)ccc1Cl
InChIInChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyIYAVXYPOCJIRMT-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol (CID 60960377) is 2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol is CN(CCO)Cc1cc(N)ccc1Cl.
What is the InChIKey of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol?
The InChIKey is IYAVXYPOCJIRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3.
What are the key properties of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol?
2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol has a molecular weight of 214.70 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-chlorophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 60960377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).