1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine

C14H11Br2F2N — CID 107952664

IUPAC1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
SMILESNC(Cc1cc(Br)ccc1F)c1cccc(Br)c1F
InChIInChI=1S/C14H11Br2F2N/c15-9-4-5-12(17)8(6-9)7-13(19)10-2-1-3-11(16)14(10)18/h1-6,13H,7,19H2
InChIKeyLCPBLEDFBXYZHX-UHFFFAOYSA-N
MW391.05 g/mol
LogP4.73
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine

1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine (PubChem CID 107952664) has the molecular formula C14H11Br2F2N and a molecular weight of 391.05 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
PubChem CID107952664
Molecular FormulaC14H11Br2F2N
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
SMILESNC(Cc1cc(Br)ccc1F)c1cccc(Br)c1F
InChIInChI=1S/C14H11Br2F2N/c15-9-4-5-12(17)8(6-9)7-13(19)10-2-1-3-11(16)14(10)18/h1-6,13H,7,19H2
InChIKeyLCPBLEDFBXYZHX-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.05
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107953888
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine
CID 115839801
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106647905
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
CID 115839362
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine (CID 107952664) is 1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine is NC(Cc1cc(Br)ccc1F)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine?
The InChIKey is LCPBLEDFBXYZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2N/c15-9-4-5-12(17)8(6-9)7-13(19)10-2-1-3-11(16)14(10)18/h1-6,13H,7,19H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine?
1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine has a molecular weight of 391.05 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine is sourced from PubChem (CID 107952664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).