1-(4-bromophenyl)-2-(tert-butylamino)ethanone

C12H16BrNO — CID 67353037

IUPAC1-(4-bromophenyl)-2-(tert-butylamino)ethanone
SMILESCC(C)(C)NCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-12(2,3)14-8-11(15)9-4-6-10(13)7-5-9/h4-7,14H,8H2,1-3H3
InChIKeyFPHSACFVLYRSEQ-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.02
Rot. Bonds3

About 1-(4-bromophenyl)-2-(tert-butylamino)ethanone

1-(4-bromophenyl)-2-(tert-butylamino)ethanone (PubChem CID 67353037) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(tert-butylamino)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(tert-butylamino)ethanone
PubChem CID67353037
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(4-bromophenyl)-2-(tert-butylamino)ethanone
SMILESCC(C)(C)NCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-12(2,3)14-8-11(15)9-4-6-10(13)7-5-9/h4-7,14H,8H2,1-3H3
InChIKeyFPHSACFVLYRSEQ-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromoamino)-1-(4-bromophenyl)ethanone
CID 86670861
2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone
CID 82101251
2-(tert-butylamino)-1-(3,5-dimethylphenyl)ethanone
CID 116588763
1-(4-bromophenyl)-2-(4-ethylanilino)ethanone
CID 110823643
2-(tert-butylamino)-1-(3,5-dihydroxyphenyl)ethanone;hydrochloride
CID 71316269
5-[2-(tert-butylamino)acetyl]-2-hydroxybenzoic acid
CID 170132447
2-(tert-butylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 82101698
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
CID 12909509
1-(4-bromophenyl)-3-methylbut-3-en-1-one
CID 79177133
2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 116588961
2-(tert-butylamino)-1-(4-hydroxy-3-methylsulfinylphenyl)ethanone
CID 20542451

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(tert-butylamino)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(tert-butylamino)ethanone (CID 67353037) is 1-(4-bromophenyl)-2-(tert-butylamino)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(tert-butylamino)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(tert-butylamino)ethanone is CC(C)(C)NCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(tert-butylamino)ethanone?
The InChIKey is FPHSACFVLYRSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2,3)14-8-11(15)9-4-6-10(13)7-5-9/h4-7,14H,8H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-(tert-butylamino)ethanone?
1-(4-bromophenyl)-2-(tert-butylamino)ethanone has a molecular weight of 270.17 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(tert-butylamino)ethanone is sourced from PubChem (CID 67353037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).