2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol

C16H17BrFNO2 — CID 43081085

IUPAC2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNC(C)c2ccc(F)cc2)cc(Br)c1O
InChIInChI=1S/C16H17BrFNO2/c1-10(12-3-5-13(18)6-4-12)19-9-11-7-14(17)16(20)15(8-11)21-2/h3-8,10,19-20H,9H2,1-2H3
InChIKeySEJUNAHFRZKADL-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.15
Rot. Bonds5

About 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol

2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol (PubChem CID 43081085) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
PubChem CID43081085
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNC(C)c2ccc(F)cc2)cc(Br)c1O
InChIInChI=1S/C16H17BrFNO2/c1-10(12-3-5-13(18)6-4-12)19-9-11-7-14(17)16(20)15(8-11)21-2/h3-8,10,19-20H,9H2,1-2H3
InChIKeySEJUNAHFRZKADL-UHFFFAOYSA-N
XLogP4.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol with MolForge

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Related Compounds

(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348422
(1R)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351806
(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623582
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol
CID 43400285
2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 79831415
2,6-dibromo-4-[[1-(3,4-difluorophenyl)ethylamino]methyl]phenol
CID 103602829
2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 28644929
2-bromo-4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]phenol
CID 60669278
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol (CID 43081085) is 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol is COc1cc(CNC(C)c2ccc(F)cc2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol?
The InChIKey is SEJUNAHFRZKADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-10(12-3-5-13(18)6-4-12)19-9-11-7-14(17)16(20)15(8-11)21-2/h3-8,10,19-20H,9H2,1-2H3.
What are the key properties of 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol?
2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol has a molecular weight of 354.22 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 43081085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).