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

C16H17BrFNO2 — CID 61016537

IUPAC4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NCc2cc(F)ccc2Br)ccc1O
InChIInChI=1S/C16H17BrFNO2/c1-10(11-3-6-15(20)16(8-11)21-2)19-9-12-7-13(18)4-5-14(12)17/h3-8,10,19-20H,9H2,1-2H3
InChIKeyZMEDQNDYCDXFTK-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.15
Rot. Bonds5

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

4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol (PubChem CID 61016537) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol
PubChem CID61016537
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NCc2cc(F)ccc2Br)ccc1O
InChIInChI=1S/C16H17BrFNO2/c1-10(11-3-6-15(20)16(8-11)21-2)19-9-12-7-13(18)4-5-14(12)17/h3-8,10,19-20H,9H2,1-2H3
InChIKeyZMEDQNDYCDXFTK-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

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Related Compounds

4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol
CID 54902136
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
2-[[1-(4-bromophenyl)ethylamino]methyl]-4-fluorophenol
CID 103947939
N-[(2-bromo-5-chlorophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 66159340
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
2-bromo-4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]phenol
CID 60669278
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324555
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol
CID 60857683
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol (CID 61016537) is 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol is COc1cc(C(C)NCc2cc(F)ccc2Br)ccc1O.
What is the InChIKey of 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol?
The InChIKey is ZMEDQNDYCDXFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-10(11-3-6-15(20)16(8-11)21-2)19-9-12-7-13(18)4-5-14(12)17/h3-8,10,19-20H,9H2,1-2H3.
What are the key properties of 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol?
4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-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 4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 61016537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).