1-(2-amino-4-chloro-5-methylphenoxy)ethanol

C9H12ClNO2 — CID 174561667

IUPAC1-(2-amino-4-chloro-5-methylphenoxy)ethanol
SMILESCc1cc(OC(C)O)c(N)cc1Cl
InChIInChI=1S/C9H12ClNO2/c1-5-3-9(13-6(2)12)8(11)4-7(5)10/h3-4,6,12H,11H2,1-2H3
InChIKeyJCAXUXVWVLXDPI-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.95
Rot. Bonds2

About 1-(2-amino-4-chloro-5-methylphenoxy)ethanol

1-(2-amino-4-chloro-5-methylphenoxy)ethanol (PubChem CID 174561667) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 1-(2-amino-4-chloro-5-methylphenoxy)ethanol.

Molecular Properties

Compound Name1-(2-amino-4-chloro-5-methylphenoxy)ethanol
PubChem CID174561667
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name1-(2-amino-4-chloro-5-methylphenoxy)ethanol
SMILESCc1cc(OC(C)O)c(N)cc1Cl
InChIInChI=1S/C9H12ClNO2/c1-5-3-9(13-6(2)12)8(11)4-7(5)10/h3-4,6,12H,11H2,1-2H3
InChIKeyJCAXUXVWVLXDPI-UHFFFAOYSA-N
XLogP1.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chloro-5-methylphenoxy)ethanol?
The IUPAC name of 1-(2-amino-4-chloro-5-methylphenoxy)ethanol (CID 174561667) is 1-(2-amino-4-chloro-5-methylphenoxy)ethanol.
What is the SMILES notation for 1-(2-amino-4-chloro-5-methylphenoxy)ethanol?
The canonical SMILES for 1-(2-amino-4-chloro-5-methylphenoxy)ethanol is Cc1cc(OC(C)O)c(N)cc1Cl.
What is the InChIKey of 1-(2-amino-4-chloro-5-methylphenoxy)ethanol?
The InChIKey is JCAXUXVWVLXDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-5-3-9(13-6(2)12)8(11)4-7(5)10/h3-4,6,12H,11H2,1-2H3.
What are the key properties of 1-(2-amino-4-chloro-5-methylphenoxy)ethanol?
1-(2-amino-4-chloro-5-methylphenoxy)ethanol has a molecular weight of 201.65 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chloro-5-methylphenoxy)ethanol is sourced from PubChem (CID 174561667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).