1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine

C16H17BrFNO2 — CID 60877895

IUPAC1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFNO2/c1-10(19)11-4-6-15(16(7-11)20-2)21-9-12-3-5-13(17)8-14(12)18/h3-8,10H,9,19H2,1-2H3
InChIKeyKEFLZXJDYWTTFL-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.20
Rot. Bonds5

About 1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine

1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine (PubChem CID 60877895) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
PubChem CID60877895
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFNO2/c1-10(19)11-4-6-15(16(7-11)20-2)21-9-12-3-5-13(17)8-14(12)18/h3-8,10H,9,19H2,1-2H3
InChIKeyKEFLZXJDYWTTFL-UHFFFAOYSA-N
XLogP4.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 78930423
(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 104862282
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 78930977
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 11617344
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 78955044
1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63422291
1-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196738
(1S)-1-[4-[(5-bromothiophen-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 78936514
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of 1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine (CID 60877895) is 1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine is COc1cc(C(C)N)ccc1OCc1ccc(Br)cc1F.
What is the InChIKey of 1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is KEFLZXJDYWTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-10(19)11-4-6-15(16(7-11)20-2)21-9-12-3-5-13(17)8-14(12)18/h3-8,10H,9,19H2,1-2H3.
What are the key properties of 1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 354.22 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 60877895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).