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

C16H19ClN2O — CID 2564

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IUPAC2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C16H19ClN2O/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
InChIKeyOJFSXZCBGQGRNV-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.40
Rot. Bonds6

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

2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine (PubChem CID 2564) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
PubChem CID2564
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C16H19ClN2O/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
InChIKeyOJFSXZCBGQGRNV-UHFFFAOYSA-N
XLogP3.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3162
Carbinoxamine Maleate
CID 5282409
Bepotastine
CID 164522
(S)-Carbinoxamine
CID 170336
Ver-156084
CID 44243144
4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid
CID 2350
Carbinoxamine fumarate
CID 6506779
(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
(R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl}piperidin-1-ylmethanone
CID 44250208
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate
CID 2824418
2-Chloro-6-(((4-(4-fluorophenyl)-1-methylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine
CID 24801457
2-Chloro-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24801626

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine (CID 2564) is 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine is CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine?
The InChIKey is OJFSXZCBGQGRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/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.
What are the key properties of 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine?
2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine has a molecular weight of 290.79 g/mol, XLogP of 3.40, 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 is sourced from PubChem (CID 2564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).