1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol

C20H26Cl2N2O — CID 3805868

IUPAC1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol
SMILESCCN(CC)CCNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H26Cl2N2O/c1-3-24(4-2)14-13-23-15-20(25,16-5-9-18(21)10-6-16)17-7-11-19(22)12-8-17/h5-12,23,25H,3-4,13-15H2,1-2H3
InChIKeyXWXIIYFKAGUANZ-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.16
Rot. Bonds9

About 1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol

1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol (PubChem CID 3805868) has the molecular formula C20H26Cl2N2O and a molecular weight of 381.35 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol
PubChem CID3805868
Molecular FormulaC20H26Cl2N2O
Molecular Weight381.35 g/mol
Exact Mass380.14
IUPAC Name1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol
SMILESCCN(CC)CCNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H26Cl2N2O/c1-3-24(4-2)14-13-23-15-20(25,16-5-9-18(21)10-6-16)17-7-11-19(22)12-8-17/h5-12,23,25H,3-4,13-15H2,1-2H3
InChIKeyXWXIIYFKAGUANZ-UHFFFAOYSA-N
XLogP4.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol (CID 3805868) is 1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol is CCN(CC)CCNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol?
The InChIKey is XWXIIYFKAGUANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O/c1-3-24(4-2)14-13-23-15-20(25,16-5-9-18(21)10-6-16)17-7-11-19(22)12-8-17/h5-12,23,25H,3-4,13-15H2,1-2H3.
What are the key properties of 1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol?
1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol has a molecular weight of 381.35 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]ethanol is sourced from PubChem (CID 3805868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).