1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine

C14H12BrF2N — CID 114559896

IUPAC1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1c(F)cccc1Br
InChIInChI=1S/C14H12BrF2N/c15-11-5-2-6-12(17)14(11)13(18)8-9-3-1-4-10(16)7-9/h1-7,13H,8,18H2
InChIKeyNYBMAEVUOUTETK-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.97
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine

1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine (PubChem CID 114559896) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
PubChem CID114559896
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1c(F)cccc1Br
InChIInChI=1S/C14H12BrF2N/c15-11-5-2-6-12(17)14(11)13(18)8-9-3-1-4-10(16)7-9/h1-7,13H,8,18H2
InChIKeyNYBMAEVUOUTETK-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
CID 171223208
1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 106942201
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905
1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 114559956
(1S)-1-(2-bromo-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 171223217
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine (CID 114559896) is 1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine is NC(Cc1cccc(F)c1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is NYBMAEVUOUTETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c15-11-5-2-6-12(17)14(11)13(18)8-9-3-1-4-10(16)7-9/h1-7,13H,8,18H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine?
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 312.16 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 114559896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).