3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine

C48H58BrClN6 — CID 68902311

IUPAC3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Br)cc1)c1ccccn1.CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.CN(C)CCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H19BrN2.C16H19ClN2.C16H20N2/c2*1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h2*3-9,11,15H,10,12H2,1-2H3;3-10,12,15H,11,13H2,1-2H3
InChIKeyZDYOJNIBUZZOIA-UHFFFAOYSA-N
MW834.39 g/mol
LogP10.91
Rot. Bonds15

About 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine

3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 68902311) has the molecular formula C48H58BrClN6 and a molecular weight of 834.39 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
PubChem CID68902311
Molecular FormulaC48H58BrClN6
Molecular Weight834.39 g/mol
Exact Mass832.36
IUPAC Name3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Br)cc1)c1ccccn1.CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.CN(C)CCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H19BrN2.C16H19ClN2.C16H20N2/c2*1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h2*3-9,11,15H,10,12H2,1-2H3;3-10,12,15H,11,13H2,1-2H3
InChIKeyZDYOJNIBUZZOIA-UHFFFAOYSA-N
XLogP10.91
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.39
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine (CID 68902311) is 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine is CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.CN(C)CCC(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is ZDYOJNIBUZZOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2.C16H19ClN2.C16H20N2/c2*1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h2*3-9,11,15H,10,12H2,1-2H3;3-10,12,15H,11,13H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 834.39 g/mol, XLogP of 10.91, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 68902311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).