1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol

C15H15BrFNO — CID 60900314

IUPAC1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
SMILESCc1cc(F)ccc1NCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10-7-13(17)5-6-14(10)18-9-15(19)11-3-2-4-12(16)8-11/h2-8,15,18-19H,9H2,1H3
InChIKeyHOGJIOMOQWZLKR-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.04
Rot. Bonds4

About 1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol

1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol (PubChem CID 60900314) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
PubChem CID60900314
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
SMILESCc1cc(F)ccc1NCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10-7-13(17)5-6-14(10)18-9-15(19)11-3-2-4-12(16)8-11/h2-8,15,18-19H,9H2,1H3
InChIKeyHOGJIOMOQWZLKR-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
CID 107635976
1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
CID 62871336
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
CID 60909028
2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
CID 102853410
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-4-methylbenzonitrile
CID 62103746
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol
CID 60896322
2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol (CID 60900314) is 1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol is Cc1cc(F)ccc1NCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol?
The InChIKey is HOGJIOMOQWZLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-7-13(17)5-6-14(10)18-9-15(19)11-3-2-4-12(16)8-11/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol?
1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol has a molecular weight of 324.19 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol is sourced from PubChem (CID 60900314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).