1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol

C17H19Cl2NO — CID 1487210

IUPAC1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-12(2)20-11-17(21,13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-10,12,20-21H,11H2,1-2H3
InChIKeyLWPLXYPCRZFALK-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.23
Rot. Bonds5

About 1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol

1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 1487210) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID1487210
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-12(2)20-11-17(21,13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-10,12,20-21H,11H2,1-2H3
InChIKeyLWPLXYPCRZFALK-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol (CID 1487210) is 1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is LWPLXYPCRZFALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(2)20-11-17(21,13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-10,12,20-21H,11H2,1-2H3.
What are the key properties of 1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 324.25 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 1487210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).