2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol

C12H17Cl2NO — CID 14820784

IUPAC2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol
SMILESCC(C)(C)NCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-12(2,3)15-7-11(16)8-4-5-9(13)10(14)6-8/h4-6,11,15-16H,7H2,1-3H3
InChIKeyJHUSMJHDLXXVJT-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.41
Rot. Bonds3

About 2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol

2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol (PubChem CID 14820784) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol
PubChem CID14820784
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol
SMILESCC(C)(C)NCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-12(2,3)15-7-11(16)8-4-5-9(13)10(14)6-8/h4-6,11,15-16H,7H2,1-3H3
InChIKeyJHUSMJHDLXXVJT-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tulobuterol
CID 5606
Dichloroisoproterenol
CID 5806
Clorprenaline
CID 2810
Tulobuterol Hydrochloride
CID 5702285
Benzenemethanol, 2-chloro-alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)
CID 23360
rel-(alphaR)-3-Chloro-alpha-((1R)-1-((1,1-dimethylethyl)amino)ethyl)benzenemethanol
CID 9834682
2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 445
(1R,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 9943534
Clorprenaline Hydrochloride
CID 21784
alpha-(Aminomethyl)-3,4-dichlorobenzenemethanol
CID 19349
1-(3-Chlorophenyl)-2-(isopropylamino)ethanol
CID 19913640
Erythrohydrobupropion
CID 9813542

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol (CID 14820784) is 2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol is CC(C)(C)NCC(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is JHUSMJHDLXXVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-12(2,3)15-7-11(16)8-4-5-9(13)10(14)6-8/h4-6,11,15-16H,7H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol?
2-(tert-butylamino)-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 262.18 g/mol, XLogP of 3.41, 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-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 14820784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).