2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol

C15H15ClFNO — CID 60898780

IUPAC2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10-5-6-13(8-14(10)16)18-9-15(19)11-3-2-4-12(17)7-11/h2-8,15,18-19H,9H2,1H3
InChIKeyDFVYFQLMJBLXJI-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.93
Rot. Bonds4

About 2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol

2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol (PubChem CID 60898780) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
PubChem CID60898780
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10-5-6-13(8-14(10)16)18-9-15(19)11-3-2-4-12(17)7-11/h2-8,15,18-19H,9H2,1H3
InChIKeyDFVYFQLMJBLXJI-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
CID 60901648
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(1,3-benzodioxol-5-yl)-2-(3-chloro-4-methylanilino)ethanol
CID 60899161
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976
2-(1,3-benzodioxol-5-ylamino)-1-(3-fluorophenyl)ethanol
CID 60901511

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol (CID 60898780) is 2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol is Cc1ccc(NCC(O)c2cccc(F)c2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol?
The InChIKey is DFVYFQLMJBLXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-5-6-13(8-14(10)16)18-9-15(19)11-3-2-4-12(17)7-11/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol?
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol has a molecular weight of 279.74 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 60898780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).