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

C11H19Cl2NO2 — CID 21784

IUPAC1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride
SMILESCC(C)NCC(O)c1ccccc1Cl.Cl.O
InChIInChI=1S/C11H16ClNO.ClH.H2O/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
InChIKeyDBPRUZCKPFOVDV-UHFFFAOYSA-N
MW268.18 g/mol
LogP1.97
Rot. Bonds4

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

1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride (PubChem CID 21784) has the molecular formula C11H19Cl2NO2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride
PubChem CID21784
Molecular FormulaC11H19Cl2NO2
Molecular Weight268.18 g/mol
Exact Mass267.08
IUPAC Name1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride
SMILESCC(C)NCC(O)c1ccccc1Cl.Cl.O
InChIInChI=1S/C11H16ClNO.ClH.H2O/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
InChIKeyDBPRUZCKPFOVDV-UHFFFAOYSA-N
XLogP1.97
TPSA63.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 51.97
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;hydrate;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride (CID 21784) is 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride is CC(C)NCC(O)c1ccccc1Cl.Cl.O.
What is the InChIKey of 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride?
The InChIKey is DBPRUZCKPFOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO.ClH.H2O/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.
What are the key properties of 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride?
1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrate;hydrochloride has a molecular weight of 268.18 g/mol, XLogP of 1.97, 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;hydrate;hydrochloride is sourced from PubChem (CID 21784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).