2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide

C13H19BrClNO — CID 11984562

IUPAC2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
SMILESBr.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO.BrH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H
InChIKeyWSTCENNATOVXKQ-UHFFFAOYSA-N
MW320.66 g/mol
LogP3.88
Rot. Bonds3

About 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide

2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide (PubChem CID 11984562) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
PubChem CID11984562
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
SMILESBr.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO.BrH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H
InChIKeyWSTCENNATOVXKQ-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bupropion
CID 444
Bupropion Hydrochloride
CID 62884
Monomethylpropion
CID 1576
Hydroxybupropion
CID 446
4-Methylethcathinone
CID 52988259
Buphedrone
CID 53249194
Pentedrone
CID 57501499
3-Chloromethcathinone hydrochloride
CID 90645589
(R)-Bupropion
CID 688387
Ethcathinone
CID 458519
3-Cec
CID 90645581
2-(Tert-butylamino)-1-(3-chlorophenyl)butan-1-one
CID 3027752

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide?
The IUPAC name of 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide (CID 11984562) is 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide?
The canonical SMILES for 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide is Br.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide?
The InChIKey is WSTCENNATOVXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.BrH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H.
What are the key properties of 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide?
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide has a molecular weight of 320.66 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide is sourced from PubChem (CID 11984562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).