1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine

C16H16BrF2NO — CID 104657340

IUPAC1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine
SMILESCCOc1ccc(C(N)Cc2ccc(F)cc2F)cc1Br
InChIInChI=1S/C16H16BrF2NO/c1-2-21-16-6-4-11(7-13(16)17)15(20)8-10-3-5-12(18)9-14(10)19/h3-7,9,15H,2,8,20H2,1H3
InChIKeyQBSGJDDSYCGDON-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.37
Rot. Bonds5

About 1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine

1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine (PubChem CID 104657340) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine
PubChem CID104657340
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine
SMILESCCOc1ccc(C(N)Cc2ccc(F)cc2F)cc1Br
InChIInChI=1S/C16H16BrF2NO/c1-2-21-16-6-4-11(7-13(16)17)15(20)8-10-3-5-12(18)9-14(10)19/h3-7,9,15H,2,8,20H2,1H3
InChIKeyQBSGJDDSYCGDON-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine
CID 104657273
(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
CID 104657309
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 104657305
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661595
2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 64561584
1-(3-bromo-4-ethoxyphenyl)heptan-1-amine
CID 114752689
1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874622
1-(3-bromo-4-ethoxyphenyl)nonan-1-amine
CID 104657385
1-(3-bromo-4-ethoxyphenyl)decan-1-amine
CID 104657345
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine (CID 104657340) is 1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine is CCOc1ccc(C(N)Cc2ccc(F)cc2F)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine?
The InChIKey is QBSGJDDSYCGDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-2-21-16-6-4-11(7-13(16)17)15(20)8-10-3-5-12(18)9-14(10)19/h3-7,9,15H,2,8,20H2,1H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine?
1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine has a molecular weight of 356.21 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 104657340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).