2-(2-chloroanilino)-1-(3-methylphenyl)ethanol

C15H16ClNO — CID 82044958

IUPAC2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNc2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-5-4-6-12(9-11)15(18)10-17-14-8-3-2-7-13(14)16/h2-9,15,17-18H,10H2,1H3
InChIKeyMQYSLFNBMZZPAD-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-chloroanilino)-1-(3-methylphenyl)ethanol

2-(2-chloroanilino)-1-(3-methylphenyl)ethanol (PubChem CID 82044958) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(2-chloroanilino)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
PubChem CID82044958
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNc2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-5-4-6-12(9-11)15(18)10-17-14-8-3-2-7-13(14)16/h2-9,15,17-18H,10H2,1H3
InChIKeyMQYSLFNBMZZPAD-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one
CID 133375920
2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60898565
(1R)-1-(3-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
CID 99704551
2-chloro-N-[2-(3-methylphenoxy)butyl]aniline
CID 54796120
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133375865
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375786
2-(5-chloro-2-methylanilino)-1-phenylethanol
CID 60721635
2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 60899627

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(2-chloroanilino)-1-(3-methylphenyl)ethanol (CID 82044958) is 2-(2-chloroanilino)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloroanilino)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(2-chloroanilino)-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CNc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chloroanilino)-1-(3-methylphenyl)ethanol?
The InChIKey is MQYSLFNBMZZPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-5-4-6-12(9-11)15(18)10-17-14-8-3-2-7-13(14)16/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 2-(2-chloroanilino)-1-(3-methylphenyl)ethanol?
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol has a molecular weight of 261.75 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 82044958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).