(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol

C12H18ClNO — CID 39247269

IUPAC(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
SMILESCC(C)(C)NC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-4-6-10(13)7-5-9/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1
InChIKeyCNQUXXRGNJGDRG-LLVKDONJSA-N
MW227.74 g/mol
LogP2.76
Rot. Bonds3

About (1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol

(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol (PubChem CID 39247269) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
PubChem CID39247269
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
SMILESCC(C)(C)NC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-4-6-10(13)7-5-9/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1
InChIKeyCNQUXXRGNJGDRG-LLVKDONJSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 172679747
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60724752

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol (CID 39247269) is (1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol is CC(C)(C)NC[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol?
The InChIKey is CNQUXXRGNJGDRG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-4-6-10(13)7-5-9/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol?
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol has a molecular weight of 227.74 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 39247269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).