2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol

C13H19Cl2NO — CID 82313291

IUPAC2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
SMILESCC(NC(C)(C)C)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-8(16-13(2,3)4)12(17)10-6-5-9(14)7-11(10)15/h5-8,12,16-17H,1-4H3
InChIKeyBWPLKAAYWOJSOX-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.80
Rot. Bonds3

About 2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol

2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol (PubChem CID 82313291) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
PubChem CID82313291
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
SMILESCC(NC(C)(C)C)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-8(16-13(2,3)4)12(17)10-6-5-9(14)7-11(10)15/h5-8,12,16-17H,1-4H3
InChIKeyBWPLKAAYWOJSOX-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
CID 82313293
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
(1S,2R)-1-(2,4-dichlorophenyl)-2-methylbut-3-en-1-ol
CID 15421862
4-[[1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 57192525
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol (CID 82313291) is 2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol is CC(NC(C)(C)C)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol?
The InChIKey is BWPLKAAYWOJSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-8(16-13(2,3)4)12(17)10-6-5-9(14)7-11(10)15/h5-8,12,16-17H,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol?
2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol has a molecular weight of 276.21 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 82313291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).