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

C11H17Cl2NO — CID 23360

IUPAC1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(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
InChIKeyCPCPUCRSKRHVAH-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.79
Rot. Bonds4

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

1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride (PubChem CID 23360) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
PubChem CID23360
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC Name1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(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
InChIKeyCPCPUCRSKRHVAH-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride (CID 23360) is 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride is CC(C)NCC(O)c1ccccc1Cl.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The InChIKey is CPCPUCRSKRHVAH-UHFFFAOYSA-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.
What are the key properties of 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
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 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 23360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).