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

C12H18ClNO2 — CID 106818725

IUPAC1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-9-3-4-10(7-11(9)13)12(15)8-14-5-6-16-2/h3-4,7,12,14-15H,5-6,8H2,1-2H3
InChIKeyLFJNYGILPLZMNW-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.92
Rot. Bonds6

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

1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol (PubChem CID 106818725) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol
PubChem CID106818725
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-9-3-4-10(7-11(9)13)12(15)8-14-5-6-16-2/h3-4,7,12,14-15H,5-6,8H2,1-2H3
InChIKeyLFJNYGILPLZMNW-UHFFFAOYSA-N
XLogP1.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 65026713
1-(4-chloro-3-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 79699447
1-(4-bromo-3-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 66481306
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
CID 115529301
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol
CID 62772788
2-(butylamino)-1-(3,4-dichlorophenyl)ethanol
CID 82315757
2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol
CID 113220606
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol (CID 106818725) is 1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol is COCCNCC(O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is LFJNYGILPLZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9-3-4-10(7-11(9)13)12(15)8-14-5-6-16-2/h3-4,7,12,14-15H,5-6,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol?
1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 243.73 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 106818725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).