1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine

C14H10BrClF3N — CID 105055587

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H10BrClF3N/c15-8-4-11(18)14(12(19)5-8)13(20)3-7-1-2-9(16)6-10(7)17/h1-2,4-6,13H,3,20H2
InChIKeyJSGMSBFFRLUUOP-UHFFFAOYSA-N
MW364.59 g/mol
LogP4.76
Rot. Bonds3

About 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine

1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine (PubChem CID 105055587) has the molecular formula C14H10BrClF3N and a molecular weight of 364.59 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
PubChem CID105055587
Molecular FormulaC14H10BrClF3N
Molecular Weight364.59 g/mol
Exact Mass362.96
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H10BrClF3N/c15-8-4-11(18)14(12(19)5-8)13(20)3-7-1-2-9(16)6-10(7)17/h1-2,4-6,13H,3,20H2
InChIKeyJSGMSBFFRLUUOP-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115844753
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106691816
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 106866965
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79781021

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine (CID 105055587) is 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1F)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The InChIKey is JSGMSBFFRLUUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N/c15-8-4-11(18)14(12(19)5-8)13(20)3-7-1-2-9(16)6-10(7)17/h1-2,4-6,13H,3,20H2.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine has a molecular weight of 364.59 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 105055587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).