1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone

C16H16BrNO — CID 116577493

IUPAC1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone
SMILESNCCc1ccccc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C16H16BrNO/c17-14-6-3-4-12(10-14)11-16(19)15-7-2-1-5-13(15)8-9-18/h1-7,10H,8-9,11,18H2
InChIKeyWEXDTUNPQVZOPH-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.38
Rot. Bonds5

About 1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone

1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone (PubChem CID 116577493) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone
PubChem CID116577493
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone
SMILESNCCc1ccccc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C16H16BrNO/c17-14-6-3-4-12(10-14)11-16(19)15-7-2-1-5-13(15)8-9-18/h1-7,10H,8-9,11,18H2
InChIKeyWEXDTUNPQVZOPH-UHFFFAOYSA-N
XLogP3.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone
CID 116560426
2-(3-bromophenyl)acetamide
CID 11736027
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158
1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371
2-(3-bromophenyl)acetate
CID 3608673
1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone
CID 116577397
2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105079137
3-[(3-bromophenyl)methyl]but-3-en-1-amine
CID 117268845
2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613356
1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622133
1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone
CID 82704146
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone?
The IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone (CID 116577493) is 1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone is NCCc1ccccc1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone?
The InChIKey is WEXDTUNPQVZOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-14-6-3-4-12(10-14)11-16(19)15-7-2-1-5-13(15)8-9-18/h1-7,10H,8-9,11,18H2.
What are the key properties of 1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone?
1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone has a molecular weight of 318.21 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone is sourced from PubChem (CID 116577493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).