6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole

C15H15BrFN — CID 163282288

IUPAC6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole
SMILESCC1CN(CCF)c2ccc3c(Br)cccc3c21
InChIInChI=1S/C15H15BrFN/c1-10-9-18(8-7-17)14-6-5-11-12(15(10)14)3-2-4-13(11)16/h2-6,10H,7-9H2,1H3
InChIKeyYNIVLMFOOMZFFQ-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.50
Rot. Bonds2

About 6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole

6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole (PubChem CID 163282288) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole.

Molecular Properties

Compound Name6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole
PubChem CID163282288
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole
SMILESCC1CN(CCF)c2ccc3c(Br)cccc3c21
InChIInChI=1S/C15H15BrFN/c1-10-9-18(8-7-17)14-6-5-11-12(15(10)14)3-2-4-13(11)16/h2-6,10H,7-9H2,1H3
InChIKeyYNIVLMFOOMZFFQ-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Bromo-4-(Dimethylamino)Naphthalene
CID 4083804
5-Bromo-2-(3-methylphenyl)isoindoline
CID 900123
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CID 134158784
1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine
CID 12040745
5-Bromo-N,N-dimethylnaphthalen-1-amine
CID 21414538
1,2,3,3-Tetramethyl-benz[e]indolinium iodide
CID 68146079
4-Bromo-n,n-bis(2,2,2-trifluoroethyl)-1-naphthalenamine
CID 11200011
2-(3-Bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole
CID 66605425
2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole
CID 90298111
(2E)-2-[(E)-6-(3-bromo-5-fluorophenyl)-5-methyl-4-methylidene-5-(2-methylnaphthalen-1-yl)hex-2-enylidene]-1,3,3-trimethylbenzo[f]indole
CID 117782754
6-bromo-N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
CID 155408461
6-bromo-N'-(4-fluorophenyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
CID 155424960

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole?
The IUPAC name of 6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole (CID 163282288) is 6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole.
What is the SMILES notation for 6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole?
The canonical SMILES for 6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole is CC1CN(CCF)c2ccc3c(Br)cccc3c21.
What is the InChIKey of 6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole?
The InChIKey is YNIVLMFOOMZFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-9-18(8-7-17)14-6-5-11-12(15(10)14)3-2-4-13(11)16/h2-6,10H,7-9H2,1H3.
What are the key properties of 6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole?
6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole has a molecular weight of 308.19 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole is sourced from PubChem (CID 163282288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).