(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride

C12H19Cl2NO — CID 45357807

IUPAC(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
SMILESCC(C)(C)NC[C@H](O)c1ccccc1Cl.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H/t11-;/m0./s1
InChIKeyRSLNRVYIRDVHLY-MERQFXBCSA-N
MW264.20 g/mol
LogP3.18
Rot. Bonds3

About (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride

(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride (PubChem CID 45357807) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
PubChem CID45357807
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC Name(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
SMILESCC(C)(C)NC[C@H](O)c1ccccc1Cl.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H/t11-;/m0./s1
InChIKeyRSLNRVYIRDVHLY-MERQFXBCSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
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
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
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

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride?
The IUPAC name of (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride (CID 45357807) is (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride?
The canonical SMILES for (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride is CC(C)(C)NC[C@H](O)c1ccccc1Cl.Cl.
What is the InChIKey of (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride?
The InChIKey is RSLNRVYIRDVHLY-MERQFXBCSA-N. The full InChI is InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H/t11-;/m0./s1.
What are the key properties of (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride?
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride has a molecular weight of 264.20 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 45357807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).