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N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine

C20H23F3N2 — CID 10089109

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

IUPACN,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
SMILESCN(C)CCCN1c2ccccc2CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H23F3N2/c1-24(2)12-5-13-25-18-7-4-3-6-15(18)8-9-16-10-11-17(14-19(16)25)20(21,22)23/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKeyQXSRWXBCAAVFCP-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.89
Rot. Bonds4

About N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine

N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine (PubChem CID 10089109) has the molecular formula C20H23F3N2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
PubChem CID10089109
Molecular FormulaC20H23F3N2
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC NameN,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
SMILESCN(C)CCCN1c2ccccc2CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H23F3N2/c1-24(2)12-5-13-25-18-7-4-3-6-15(18)8-9-16-10-11-17(14-19(16)25)20(21,22)23/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKeyQXSRWXBCAAVFCP-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine (CID 10089109) is N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine is CN(C)CCCN1c2ccccc2CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine?
The InChIKey is QXSRWXBCAAVFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2/c1-24(2)12-5-13-25-18-7-4-3-6-15(18)8-9-16-10-11-17(14-19(16)25)20(21,22)23/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine?
N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine has a molecular weight of 348.41 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine is sourced from PubChem (CID 10089109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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