2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine

C19H22F2N2 — CID 155032546

IUPAC2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine
SMILESCc1c(F)c(C)c2c(c1F)N(CCN)c1ccccc1C(C)C2
InChIInChI=1S/C19H22F2N2/c1-11-10-15-12(2)17(20)13(3)18(21)19(15)23(9-8-22)16-7-5-4-6-14(11)16/h4-7,11H,8-10,22H2,1-3H3
InChIKeyZLXGGTBMPIPPGS-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.34
Rot. Bonds2

About 2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine

2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine (PubChem CID 155032546) has the molecular formula C19H22F2N2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine
PubChem CID155032546
Molecular FormulaC19H22F2N2
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine
SMILESCc1c(F)c(C)c2c(c1F)N(CCN)c1ccccc1C(C)C2
InChIInChI=1S/C19H22F2N2/c1-11-10-15-12(2)17(20)13(3)18(21)19(15)23(9-8-22)16-7-5-4-6-14(11)16/h4-7,11H,8-10,22H2,1-3H3
InChIKeyZLXGGTBMPIPPGS-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine?
The IUPAC name of 2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine (CID 155032546) is 2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine.
What is the SMILES notation for 2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine?
The canonical SMILES for 2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine is Cc1c(F)c(C)c2c(c1F)N(CCN)c1ccccc1C(C)C2.
What is the InChIKey of 2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine?
The InChIKey is ZLXGGTBMPIPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2/c1-11-10-15-12(2)17(20)13(3)18(21)19(15)23(9-8-22)16-7-5-4-6-14(11)16/h4-7,11H,8-10,22H2,1-3H3.
What are the key properties of 2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine?
2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine has a molecular weight of 316.40 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine is sourced from PubChem (CID 155032546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).