1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol

C12H18ClNO3 — CID 65026713

IUPAC1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H18ClNO3/c1-16-6-5-14-8-11(15)9-3-4-12(17-2)10(13)7-9/h3-4,7,11,14-15H,5-6,8H2,1-2H3
InChIKeyXEBCIUXWLKPTHD-UHFFFAOYSA-N
MW259.73 g/mol
LogP1.62
Rot. Bonds7

About 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol

1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol (PubChem CID 65026713) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
PubChem CID65026713
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H18ClNO3/c1-16-6-5-14-8-11(15)9-3-4-12(17-2)10(13)7-9/h3-4,7,11,14-15H,5-6,8H2,1-2H3
InChIKeyXEBCIUXWLKPTHD-UHFFFAOYSA-N
XLogP1.62
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 79699447
1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 106818725
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
CID 7319732
1-(4-bromo-3-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 66481306
2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 65026801
1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
CID 115529301
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol
CID 167489214

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol (CID 65026713) is 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol is COCCNCC(O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is XEBCIUXWLKPTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-16-6-5-14-8-11(15)9-3-4-12(17-2)10(13)7-9/h3-4,7,11,14-15H,5-6,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol?
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 259.73 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 65026713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).