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

C15H15ClFNO — CID 60898395

IUPAC2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccccc2F)cc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10-6-7-11(8-13(10)16)18-9-15(19)12-4-2-3-5-14(12)17/h2-8,15,18-19H,9H2,1H3
InChIKeyWFNOYXNRZWZEPV-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.93
Rot. Bonds4

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

2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol (PubChem CID 60898395) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
PubChem CID60898395
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccccc2F)cc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10-6-7-11(8-13(10)16)18-9-15(19)12-4-2-3-5-14(12)17/h2-8,15,18-19H,9H2,1H3
InChIKeyWFNOYXNRZWZEPV-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

2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 63333952
1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
CID 60896520
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol
CID 82044991
N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine
CID 54809574
1-(2-fluorophenyl)-2-(3-methoxyanilino)ethanol
CID 60900716
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol
CID 82818248

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol (CID 60898395) is 2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol is Cc1ccc(NCC(O)c2ccccc2F)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol?
The InChIKey is WFNOYXNRZWZEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-6-7-11(8-13(10)16)18-9-15(19)12-4-2-3-5-14(12)17/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol?
2-(3-chloro-4-methylanilino)-1-(2-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-(2-fluorophenyl)ethanol is sourced from PubChem (CID 60898395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).