2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol

C16H18ClNO2 — CID 107634665

IUPAC2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-11-3-8-14(17)15(9-11)18-10-16(19)12-4-6-13(20-2)7-5-12/h3-9,16,18-19H,10H2,1-2H3
InChIKeyQLPMUTBFTJIXQA-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol

2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol (PubChem CID 107634665) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
PubChem CID107634665
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-11-3-8-14(17)15(9-11)18-10-16(19)12-4-6-13(20-2)7-5-12/h3-9,16,18-19H,10H2,1-2H3
InChIKeyQLPMUTBFTJIXQA-UHFFFAOYSA-N
XLogP3.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol
CID 133351741
(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
CID 107634835
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-chloro-N-(2,2-dimethoxyethyl)-5-methylaniline
CID 107630559
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
1-(4-chlorophenyl)-2-[(7-methoxy-2-methylquinolin-4-yl)amino]ethanol
CID 110432928
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644674
3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-4-methylbenzonitrile
CID 62104480

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol (CID 107634665) is 2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNc2cc(C)ccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol?
The InChIKey is QLPMUTBFTJIXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-3-8-14(17)15(9-11)18-10-16(19)12-4-6-13(20-2)7-5-12/h3-9,16,18-19H,10H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol?
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol has a molecular weight of 291.78 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 107634665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).