1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol

C15H16ClNO2 — CID 60900920

IUPAC1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol
SMILESCOc1ccc(NCC(O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO2/c1-19-12-8-6-11(7-9-12)17-10-15(18)13-4-2-3-5-14(13)16/h2-9,15,17-18H,10H2,1H3
InChIKeyOZFCCACDMOIMJF-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.49
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol

1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol (PubChem CID 60900920) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol
PubChem CID60900920
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol
SMILESCOc1ccc(NCC(O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO2/c1-19-12-8-6-11(7-9-12)17-10-15(18)13-4-2-3-5-14(13)16/h2-9,15,17-18H,10H2,1H3
InChIKeyOZFCCACDMOIMJF-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol
CID 60896350
(1S)-1-(2-chlorophenyl)-2-(4-ethylsulfonylanilino)ethanol
CID 100664216
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol
CID 166540851
2-(4-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 60901649
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol
CID 60898393
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol (CID 60900920) is 1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol is COc1ccc(NCC(O)c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol?
The InChIKey is OZFCCACDMOIMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-19-12-8-6-11(7-9-12)17-10-15(18)13-4-2-3-5-14(13)16/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol?
1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol has a molecular weight of 277.75 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol is sourced from PubChem (CID 60900920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).