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Brompheniramine

C16H19BrN2 — CID 6834

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

IUPAC3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CCC(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
InChIKeyZDIGNSYAACHWNL-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.93
Rot. Bonds5

About Brompheniramine

Brompheniramine (PubChem CID 6834) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound NameBrompheniramine
PubChem CID6834
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CCC(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
InChIKeyZDIGNSYAACHWNL-UHFFFAOYSA-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

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Zimelidine
CID 5365247
Azatadine
CID 19861
(+-)-Brompheniramine maleate
CID 5281067
Dexbrompheniramine
CID 16960
(+)-Brompheniramine Maleate
CID 6433334
2-Phenylpyridine
CID 13887
Zimelidine Dihydrochloride
CID 6436006

Frequently Asked Questions

What is the IUPAC name of Brompheniramine?
The IUPAC name of Brompheniramine (CID 6834) is 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for Brompheniramine?
The canonical SMILES for Brompheniramine is CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of Brompheniramine?
The InChIKey is ZDIGNSYAACHWNL-UHFFFAOYSA-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.
What are the key properties of Brompheniramine?
Brompheniramine 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 Brompheniramine is sourced from PubChem (CID 6834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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