2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine

C15H15BrFNO — CID 83133763

IUPAC2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
SMILESCc1cc(OC(CN)c2ccc(F)cc2)ccc1Br
InChIInChI=1S/C15H15BrFNO/c1-10-8-13(6-7-14(10)16)19-15(9-18)11-2-4-12(17)5-3-11/h2-8,15H,9,18H2,1H3
InChIKeyCNXDTTYPPMVTTH-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine

2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine (PubChem CID 83133763) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
PubChem CID83133763
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
SMILESCc1cc(OC(CN)c2ccc(F)cc2)ccc1Br
InChIInChI=1S/C15H15BrFNO/c1-10-8-13(6-7-14(10)16)19-15(9-18)11-2-4-12(17)5-3-11/h2-8,15H,9,18H2,1H3
InChIKeyCNXDTTYPPMVTTH-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 83133250
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 83133681
2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107168741
2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 55015460
2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine
CID 83132841
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544
2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
CID 83232517
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine (CID 83133763) is 2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine is Cc1cc(OC(CN)c2ccc(F)cc2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine?
The InChIKey is CNXDTTYPPMVTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-8-13(6-7-14(10)16)19-15(9-18)11-2-4-12(17)5-3-11/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine?
2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 83133763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).