2-[bis(4-chlorophenyl)methyl-methylamino]ethanol

C16H17Cl2NO — CID 18318997

IUPAC2-[bis(4-chlorophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-19(10-11-20)16(12-2-6-14(17)7-3-12)13-4-8-15(18)9-5-13/h2-9,16,20H,10-11H2,1H3
InChIKeyGZDXWWCVVKRXNL-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.01
Rot. Bonds5

About 2-[bis(4-chlorophenyl)methyl-methylamino]ethanol

2-[bis(4-chlorophenyl)methyl-methylamino]ethanol (PubChem CID 18318997) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methyl-methylamino]ethanol
PubChem CID18318997
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-[bis(4-chlorophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-19(10-11-20)16(12-2-6-14(17)7-3-12)13-4-8-15(18)9-5-13/h2-9,16,20H,10-11H2,1H3
InChIKeyGZDXWWCVVKRXNL-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[bis(4-chlorophenyl)methyl-methylamino]ethanol (CID 18318997) is 2-[bis(4-chlorophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[bis(4-chlorophenyl)methyl-methylamino]ethanol is CN(CCO)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methyl-methylamino]ethanol?
The InChIKey is GZDXWWCVVKRXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-19(10-11-20)16(12-2-6-14(17)7-3-12)13-4-8-15(18)9-5-13/h2-9,16,20H,10-11H2,1H3.
What are the key properties of 2-[bis(4-chlorophenyl)methyl-methylamino]ethanol?
2-[bis(4-chlorophenyl)methyl-methylamino]ethanol has a molecular weight of 310.22 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 18318997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).