Dexchlorpheniramine

C16H19ClN2 — CID 33036

IUPAC(3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2
InChIInChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1
InChIKeySOYKEARSMXGVTM-HNNXBMFYSA-N
MW274.79 g/mol
LogP3.40
Rot. Bonds5

About Dexchlorpheniramine

Dexchlorpheniramine (PubChem CID 33036) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound NameDexchlorpheniramine
PubChem CID33036
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name(3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2
InChIInChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1
InChIKeySOYKEARSMXGVTM-HNNXBMFYSA-N
XLogP3.40
TPSA16.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity249

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Triprolidine
CID 5282443
Desloratadine
CID 124087
(+-)-Dimethindene
CID 21855
Dexchlorpheniramine Maleate
CID 5281070
Pheniramine
CID 4761
Chlorpheniramine Maleate
CID 5281068
Azatadine
CID 19861
Rupatadine
CID 133017
Triprolidine Hydrochloride Anhydrous
CID 5702129
2-(3-Phenylpropyl)Pyridine
CID 459494
Chlorphenamine Maleate
CID 6433151

Frequently Asked Questions

What is the IUPAC name of Dexchlorpheniramine?
The IUPAC name of Dexchlorpheniramine (CID 33036) is (3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for Dexchlorpheniramine?
The canonical SMILES for Dexchlorpheniramine is CN(C)CC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2.
What is the InChIKey of Dexchlorpheniramine?
The InChIKey is SOYKEARSMXGVTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of Dexchlorpheniramine?
Dexchlorpheniramine has a molecular weight of 274.79 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Dexchlorpheniramine is sourced from PubChem (CID 33036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).