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

C12H18ClNO — CID 667686

IUPAC(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
SMILESCC(C)(C)NC[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1
InChIKeyYREYLAVBNPACJM-LLVKDONJSA-N
MW227.74 g/mol
LogP2.76
Rot. Bonds3

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

(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol (PubChem CID 667686) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
PubChem CID667686
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
SMILESCC(C)(C)NC[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1
InChIKeyYREYLAVBNPACJM-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

(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol
CID 60900920
1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol
CID 60896350
N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
CID 79446177
2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
CID 138472942

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol (CID 667686) is (1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol is CC(C)(C)NC[C@@H](O)c1ccccc1Cl.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol?
The InChIKey is YREYLAVBNPACJM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol?
(1S)-2-(tert-butylamino)-1-(2-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-(2-chlorophenyl)ethanol is sourced from PubChem (CID 667686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).