2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine

C16H17BrFNO — CID 62606235

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(N)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H17BrFNO/c1-2-20-14-5-3-4-12(8-14)16(19)9-11-6-7-13(17)10-15(11)18/h3-8,10,16H,2,9,19H2,1H3
InChIKeyIFFDZSHGRHCEDQ-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.23
Rot. Bonds5

About 2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine (PubChem CID 62606235) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine
PubChem CID62606235
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(N)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H17BrFNO/c1-2-20-14-5-3-4-12(8-14)16(19)9-11-6-7-13(17)10-15(11)18/h3-8,10,16H,2,9,19H2,1H3
InChIKeyIFFDZSHGRHCEDQ-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 114906102
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426
2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 62602021
3-[1-amino-2-(4-bromo-2-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105137133
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 105137154
[2-(4-bromo-2-chlorophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105191998
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine (CID 62606235) is 2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine is CCOc1cccc(C(N)Cc2ccc(Br)cc2F)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine?
The InChIKey is IFFDZSHGRHCEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-2-20-14-5-3-4-12(8-14)16(19)9-11-6-7-13(17)10-15(11)18/h3-8,10,16H,2,9,19H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine is sourced from PubChem (CID 62606235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).