(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine

C16H19BrN2 — CID 16960

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 (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine

(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine (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 Name(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
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

Triprolidine
CID 5282443
Brompheniramine
CID 6834
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Zimelidine
CID 5365247
Azatadine
CID 19861
(+-)-Brompheniramine maleate
CID 5281067
Triprolidine Hydrochloride Anhydrous
CID 5702129
(+)-Brompheniramine Maleate
CID 6433334
2-(3-Phenylpropyl)Pyridine
CID 459494
2-Phenylpyridine
CID 13887
Zimelidine Dihydrochloride
CID 6436006

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine (CID 16960) is (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine is CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine?
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 (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine?
(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine 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 (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 16960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).