sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride

C11H20Cl2NNaO2 — CID 173081164

IUPACsodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
SMILESCC(C)NCC(O)c1ccccc1Cl.Cl.O.[H-].[Na+]
InChIInChI=1S/C11H16ClNO.ClH.Na.H2O.H/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12;;;;/h3-6,8,11,13-14H,7H2,1-2H3;1H;;1H2;/q;;+1;;-1
InChIKeyYICAESYDSSETLS-UHFFFAOYSA-N
MW292.18 g/mol
LogP-0.92
Rot. Bonds4

About sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride

sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride (PubChem CID 173081164) has the molecular formula C11H20Cl2NNaO2 and a molecular weight of 292.18 g/mol. Its IUPAC name is sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride.

Molecular Properties

Compound Namesodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
PubChem CID173081164
Molecular FormulaC11H20Cl2NNaO2
Molecular Weight292.18 g/mol
Exact Mass291.08
IUPAC Namesodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
SMILESCC(C)NCC(O)c1ccccc1Cl.Cl.O.[H-].[Na+]
InChIInChI=1S/C11H16ClNO.ClH.Na.H2O.H/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12;;;;/h3-6,8,11,13-14H,7H2,1-2H3;1H;;1H2;/q;;+1;;-1
InChIKeyYICAESYDSSETLS-UHFFFAOYSA-N
XLogP-0.92
TPSA63.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
1-(2-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54950007
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
CID 113495705
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408060
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628144
1-(2-chlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81409365
(1R)-1-(2-chlorophenyl)-2-[1-(2-methylphenyl)propan-2-ylamino]ethanol
CID 70004278

Frequently Asked Questions

What is the IUPAC name of sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride?
The IUPAC name of sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride (CID 173081164) is sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride.
What is the SMILES notation for sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride?
The canonical SMILES for sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride is CC(C)NCC(O)c1ccccc1Cl.Cl.O.[H-].[Na+].
What is the InChIKey of sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride?
The InChIKey is YICAESYDSSETLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO.ClH.Na.H2O.H/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12;;;;/h3-6,8,11,13-14H,7H2,1-2H3;1H;;1H2;/q;;+1;;-1.
What are the key properties of sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride?
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride has a molecular weight of 292.18 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride is sourced from PubChem (CID 173081164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).