1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride

C20H25Cl3N2O — CID 3052530

IUPAC1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride
SMILESCl.Clc1ccc(CC(NCCN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24Cl2N2O.ClH/c21-18-5-1-16(2-6-18)15-20(17-3-7-19(22)8-4-17)23-9-10-24-11-13-25-14-12-24;/h1-8,20,23H,9-15H2;1H
InChIKeyHXIRVQOZXYQEQD-UHFFFAOYSA-N
MW415.79 g/mol
LogP4.62
Rot. Bonds7

About 1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride

1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride (PubChem CID 3052530) has the molecular formula C20H25Cl3N2O and a molecular weight of 415.79 g/mol. Its IUPAC name is 1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride
PubChem CID3052530
Molecular FormulaC20H25Cl3N2O
Molecular Weight415.79 g/mol
Exact Mass414.10
IUPAC Name1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride
SMILESCl.Clc1ccc(CC(NCCN2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24Cl2N2O.ClH/c21-18-5-1-16(2-6-18)15-20(17-3-7-19(22)8-4-17)23-9-10-24-11-13-25-14-12-24;/h1-8,20,23H,9-15H2;1H
InChIKeyHXIRVQOZXYQEQD-UHFFFAOYSA-N
XLogP4.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.79
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride?
The IUPAC name of 1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride (CID 3052530) is 1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride.
What is the SMILES notation for 1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride?
The canonical SMILES for 1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride is Cl.Clc1ccc(CC(NCCN2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride?
The InChIKey is HXIRVQOZXYQEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O.ClH/c21-18-5-1-16(2-6-18)15-20(17-3-7-19(22)8-4-17)23-9-10-24-11-13-25-14-12-24;/h1-8,20,23H,9-15H2;1H.
What are the key properties of 1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride?
1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride has a molecular weight of 415.79 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine;hydrochloride is sourced from PubChem (CID 3052530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).