2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride

C16H20Cl2N2O — CID 18913831

IUPAC2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.Cl
InChIInChI=1S/C16H19ClN2O.ClH/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;/h3-10,16H,11-12H2,1-2H3;1H
InChIKeyQXDXEJNSYADHPX-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.82
Rot. Bonds6

About 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride

2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride (PubChem CID 18913831) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride
PubChem CID18913831
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.Cl
InChIInChI=1S/C16H19ClN2O.ClH/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;/h3-10,16H,11-12H2,1-2H3;1H
InChIKeyQXDXEJNSYADHPX-UHFFFAOYSA-N
XLogP3.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride (CID 18913831) is 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride is CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.Cl.
What is the InChIKey of 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride?
The InChIKey is QXDXEJNSYADHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O.ClH/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;/h3-10,16H,11-12H2,1-2H3;1H.
What are the key properties of 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride?
2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride has a molecular weight of 327.25 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 18913831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).