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

C13H19BrClNO — CID 73416166

IUPAC(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
SMILESBr.C[C@@H](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/t9-;/m1./s1
InChIKeyWSTCENNATOVXKQ-SBSPUUFOSA-N
MW320.66 g/mol
LogP3.88
Rot. Bonds3

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

(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide (PubChem CID 73416166) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide.

Molecular Properties

Compound Name(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
PubChem CID73416166
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
SMILESBr.C[C@@H](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/t9-;/m1./s1
InChIKeyWSTCENNATOVXKQ-SBSPUUFOSA-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

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Related Compounds

(2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416165
bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);dihydrochloride
CID 69303018
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)-2-deuteriopropan-1-one
CID 72950433
1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride
CID 3031068
1-(3-chlorophenyl)-3,3,3-trideuterio-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one
CID 45280686
2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one
CID 44542657
2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
CID 3029724
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
bis(2-bromo-1-(3-chlorophenyl)propan-1-one);bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]azanium;1-(3-chlorophenyl)propan-1-one;bis(dichloromethane);molecular bromine;bromide
CID 158016028
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 11269629
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
CID 70283144

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide?
The IUPAC name of (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide (CID 73416166) is (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide.
What is the SMILES notation for (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide?
The canonical SMILES for (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide is Br.C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide?
The InChIKey is WSTCENNATOVXKQ-SBSPUUFOSA-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/t9-;/m1./s1.
What are the key properties of (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide?
(2R)-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 (2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide is sourced from PubChem (CID 73416166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).