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Carbinoxamine

C16H19ClN2O — CID 2564

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Data last refreshed: (MolForge compound catalog, from PubChem)

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 Carbinoxamine

Carbinoxamine (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 NameCarbinoxamine
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

Doxylamine
CID 3162
Carbinoxamine Maleate
CID 5282409
4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid
CID 2350
Carbinoxamine fumarate
CID 6506779
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 Carbinoxamine?
The IUPAC name of Carbinoxamine (CID 2564) is 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for Carbinoxamine?
The canonical SMILES for Carbinoxamine is CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of Carbinoxamine?
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 Carbinoxamine?
Carbinoxamine 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 Carbinoxamine is sourced from PubChem (CID 2564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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