2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine

C16H17BrFNO — CID 115957707

IUPAC2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11-3-2-4-13(5-6-19)16(11)20-10-12-7-14(17)9-15(18)8-12/h2-4,7-9H,5-6,10,19H2,1H3
InChIKeyCYZPRWQRVJLABU-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.98
Rot. Bonds5

About 2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine

2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine (PubChem CID 115957707) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
PubChem CID115957707
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11-3-2-4-13(5-6-19)16(11)20-10-12-7-14(17)9-15(18)8-12/h2-4,7-9H,5-6,10,19H2,1H3
InChIKeyCYZPRWQRVJLABU-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957662
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 79704433
[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79706812
1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79703239
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
3-[(3-bromo-5-fluorophenyl)methoxy]-4-methylaniline
CID 79704583
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962661
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
5-bromo-1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]-3-methylbenzene
CID 112621396

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The IUPAC name of 2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine (CID 115957707) is 2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine is Cc1cccc(CCN)c1OCc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The InChIKey is CYZPRWQRVJLABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11-3-2-4-13(5-6-19)16(11)20-10-12-7-14(17)9-15(18)8-12/h2-4,7-9H,5-6,10,19H2,1H3.
What are the key properties of 2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine has a molecular weight of 338.22 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine is sourced from PubChem (CID 115957707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).