2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol

C13H19BrClNO — CID 82780730

IUPAC2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClNO/c1-12(2,3)16-8-13(4,17)10-6-5-9(14)7-11(10)15/h5-7,16-17H,8H2,1-4H3
InChIKeyKCZMTBXSEJGGRG-UHFFFAOYSA-N
MW320.66 g/mol
LogP3.70
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol

2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol (PubChem CID 82780730) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
PubChem CID82780730
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClNO/c1-12(2,3)16-8-13(4,17)10-6-5-9(14)7-11(10)15/h5-7,16-17H,8H2,1-4H3
InChIKeyKCZMTBXSEJGGRG-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(4-bromo-2-chlorophenyl)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 138016345
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284
2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol
CID 83157267
2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
CID 82779362
2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
CID 114191784
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
2-(4-bromo-2-chlorophenyl)-2-(ethylamino)propanamide
CID 82773747
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 82776853

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol (CID 82780730) is 2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol is CC(C)(C)NCC(C)(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol?
The InChIKey is KCZMTBXSEJGGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO/c1-12(2,3)16-8-13(4,17)10-6-5-9(14)7-11(10)15/h5-7,16-17H,8H2,1-4H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol?
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol has a molecular weight of 320.66 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol is sourced from PubChem (CID 82780730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).