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Dexbrompheniramine

C16H19BrN2 — CID 16960

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

IUPAC(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C16H19BrN2/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
InChIKeyZDIGNSYAACHWNL-HNNXBMFYSA-N
MW319.25 g/mol
LogP3.93
Rot. Bonds5

About Dexbrompheniramine

Dexbrompheniramine (PubChem CID 16960) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound NameDexbrompheniramine
PubChem CID16960
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C16H19BrN2/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
InChIKeyZDIGNSYAACHWNL-HNNXBMFYSA-N
XLogP3.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of Dexbrompheniramine?
The IUPAC name of Dexbrompheniramine (CID 16960) is (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for Dexbrompheniramine?
The canonical SMILES for Dexbrompheniramine is CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of Dexbrompheniramine?
The InChIKey is ZDIGNSYAACHWNL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19BrN2/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 Dexbrompheniramine?
Dexbrompheniramine has a molecular weight of 319.25 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Dexbrompheniramine is sourced from PubChem (CID 16960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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