(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride

C11H17Cl2NO — CID 76957004

IUPAC(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NC[C@@H](O)c1ccccc1Cl.Cl
InChIInChI=1S/C11H16ClNO.ClH/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/t11-;/m1./s1
InChIKeyCPCPUCRSKRHVAH-RFVHGSKJSA-N
MW250.17 g/mol
LogP2.79
Rot. Bonds4

About (1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride

(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride (PubChem CID 76957004) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
PubChem CID76957004
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC Name(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NC[C@@H](O)c1ccccc1Cl.Cl
InChIInChI=1S/C11H16ClNO.ClH/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/t11-;/m1./s1
InChIKeyCPCPUCRSKRHVAH-RFVHGSKJSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
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
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
1-(2-chlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81409365
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
CID 113495705
(1R)-1-(2-chlorophenyl)-2-[1-(2-methylphenyl)propan-2-ylamino]ethanol
CID 70004278
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of (1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride (CID 76957004) is (1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride is CC(C)NC[C@@H](O)c1ccccc1Cl.Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The InChIKey is CPCPUCRSKRHVAH-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H16ClNO.ClH/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/t11-;/m1./s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride has a molecular weight of 250.17 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 76957004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).