2-(1-amino-2-methoxyethyl)-6-chlorophenol

C9H12ClNO2 — CID 130061439

IUPAC2-(1-amino-2-methoxyethyl)-6-chlorophenol
SMILESCOCC(N)c1cccc(Cl)c1O
InChIInChI=1S/C9H12ClNO2/c1-13-5-8(11)6-3-2-4-7(10)9(6)12/h2-4,8,12H,5,11H2,1H3
InChIKeyYUEQDUCUNZDSOX-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.69
Rot. Bonds3

About 2-(1-amino-2-methoxyethyl)-6-chlorophenol

2-(1-amino-2-methoxyethyl)-6-chlorophenol (PubChem CID 130061439) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-(1-amino-2-methoxyethyl)-6-chlorophenol.

Molecular Properties

Compound Name2-(1-amino-2-methoxyethyl)-6-chlorophenol
PubChem CID130061439
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-(1-amino-2-methoxyethyl)-6-chlorophenol
SMILESCOCC(N)c1cccc(Cl)c1O
InChIInChI=1S/C9H12ClNO2/c1-13-5-8(11)6-3-2-4-7(10)9(6)12/h2-4,8,12H,5,11H2,1H3
InChIKeyYUEQDUCUNZDSOX-UHFFFAOYSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
(1S)-1-(2-bromo-3-chlorophenyl)-2-methoxyethanamine
CID 130642924
2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol
CID 131335401
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
2-[(1S)-1-aminohexyl]-6-chlorophenol
CID 171224317
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-6-chlorophenol
CID 171204748
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
2-[(1R,2S)-1-amino-2-hydroxy-3-methylpentyl]-6-chlorophenol;hydrochloride
CID 171262416

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methoxyethyl)-6-chlorophenol?
The IUPAC name of 2-(1-amino-2-methoxyethyl)-6-chlorophenol (CID 130061439) is 2-(1-amino-2-methoxyethyl)-6-chlorophenol.
What is the SMILES notation for 2-(1-amino-2-methoxyethyl)-6-chlorophenol?
The canonical SMILES for 2-(1-amino-2-methoxyethyl)-6-chlorophenol is COCC(N)c1cccc(Cl)c1O.
What is the InChIKey of 2-(1-amino-2-methoxyethyl)-6-chlorophenol?
The InChIKey is YUEQDUCUNZDSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-13-5-8(11)6-3-2-4-7(10)9(6)12/h2-4,8,12H,5,11H2,1H3.
What are the key properties of 2-(1-amino-2-methoxyethyl)-6-chlorophenol?
2-(1-amino-2-methoxyethyl)-6-chlorophenol has a molecular weight of 201.65 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methoxyethyl)-6-chlorophenol is sourced from PubChem (CID 130061439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).