4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol

C15H15BrFNO — CID 54902136

IUPAC4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol
SMILESCC(NCc1cc(F)ccc1Br)c1ccc(O)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(11-2-5-14(19)6-3-11)18-9-12-8-13(17)4-7-15(12)16/h2-8,10,18-19H,9H2,1H3
InChIKeyIGHWOMZQVVNOFA-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.14
Rot. Bonds4

About 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol

4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol (PubChem CID 54902136) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol
PubChem CID54902136
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol
SMILESCC(NCc1cc(F)ccc1Br)c1ccc(O)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(11-2-5-14(19)6-3-11)18-9-12-8-13(17)4-7-15(12)16/h2-8,10,18-19H,9H2,1H3
InChIKeyIGHWOMZQVVNOFA-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol
CID 61016537
2-[[1-(4-bromophenyl)ethylamino]methyl]-4-fluorophenol
CID 103947939
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348351
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
4-bromo-2-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 51981416
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221166
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol?
The IUPAC name of 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol (CID 54902136) is 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol is CC(NCc1cc(F)ccc1Br)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol?
The InChIKey is IGHWOMZQVVNOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(11-2-5-14(19)6-3-11)18-9-12-8-13(17)4-7-15(12)16/h2-8,10,18-19H,9H2,1H3.
What are the key properties of 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol?
4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol has a molecular weight of 324.19 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 54902136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).