1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone

C16H15BrFNO — CID 116577619

IUPAC1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone
SMILESNCCc1ccc(C(=O)Cc2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H15BrFNO/c17-15-10-14(18)6-5-13(15)9-16(20)12-3-1-11(2-4-12)7-8-19/h1-6,10H,7-9,19H2
InChIKeyRFGSULOWSQKYPM-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.51
Rot. Bonds5

About 1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone

1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone (PubChem CID 116577619) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone
PubChem CID116577619
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone
SMILESNCCc1ccc(C(=O)Cc2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H15BrFNO/c17-15-10-14(18)6-5-13(15)9-16(20)12-3-1-11(2-4-12)7-8-19/h1-6,10H,7-9,19H2
InChIKeyRFGSULOWSQKYPM-UHFFFAOYSA-N
XLogP3.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 62620275
1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052370
1-[4-(2-aminoethyl)phenyl]-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272613
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
CID 116577788
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone
CID 63411397
1-[4-(2-aminoethyl)phenyl]-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116577782
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 114968001
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116611894
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114968030
1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116577590
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116577757

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone (CID 116577619) is 1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone is NCCc1ccc(C(=O)Cc2ccc(F)cc2Br)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone?
The InChIKey is RFGSULOWSQKYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-15-10-14(18)6-5-13(15)9-16(20)12-3-1-11(2-4-12)7-8-19/h1-6,10H,7-9,19H2.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone?
1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone has a molecular weight of 336.20 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone is sourced from PubChem (CID 116577619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).