1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one

C13H18BrNO — CID 44542509

IUPAC1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one
SMILESCC(NC(C)(C)C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
InChIKeyQYLKSFXBRALDIS-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one

1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one (PubChem CID 44542509) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one
PubChem CID44542509
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one
SMILESCC(NC(C)(C)C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
InChIKeyQYLKSFXBRALDIS-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide
CID 13458401
2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)propan-1-one
CID 13080781
bis((E)-but-2-enedioic acid);2-(tert-butylamino)-1-(4-chlorophenyl)propan-1-one
CID 131698964
1-(4-bromophenyl)-2-tert-butylsulfinylpropan-1-one
CID 64640875
2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride
CID 71314367
2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one
CID 44542510
1-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxy]propan-1-one
CID 43800354
1-(4-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one
CID 169437498
2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one
CID 82100526
1-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)propan-1-one;hydrochloride
CID 132988641
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416166
bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);dihydrochloride
CID 69303018

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one (CID 44542509) is 1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one is CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one?
The InChIKey is QYLKSFXBRALDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3.
What are the key properties of 1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one?
1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one has a molecular weight of 284.20 g/mol, XLogP of 3.41, 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)propan-1-one is sourced from PubChem (CID 44542509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).