2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride

C17H21Cl2NO — CID 29151

IUPAC2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(c1ccccc1)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C17H20ClNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H
InChIKeySDTRPYDQWXMFOM-UHFFFAOYSA-N
MW326.27 g/mol
LogP-0.41
Rot. Bonds6

About 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride

2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride (PubChem CID 29151) has the molecular formula C17H21Cl2NO and a molecular weight of 326.27 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride
PubChem CID29151
Molecular FormulaC17H21Cl2NO
Molecular Weight326.27 g/mol
Exact Mass325.10
IUPAC Name2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(c1ccccc1)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C17H20ClNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H
InChIKeySDTRPYDQWXMFOM-UHFFFAOYSA-N
XLogP-0.41
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride (CID 29151) is 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride is C[NH+](C)CCOC(c1ccccc1)c1ccc(Cl)cc1.[Cl-].
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride?
The InChIKey is SDTRPYDQWXMFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H.
What are the key properties of 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride?
2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride has a molecular weight of 326.27 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-dimethylazanium chloride is sourced from PubChem (CID 29151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).