6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole

C16H18BrN — CID 163282285

IUPAC6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole
SMILESCC1CN(C(C)C)c2ccc3c(Br)cccc3c21
InChIInChI=1S/C16H18BrN/c1-10(2)18-9-11(3)16-13-5-4-6-14(17)12(13)7-8-15(16)18/h4-8,10-11H,9H2,1-3H3
InChIKeyGIYGRYBENJNTGZ-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.93
Rot. Bonds1

About 6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole

6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole (PubChem CID 163282285) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole.

Molecular Properties

Compound Name6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole
PubChem CID163282285
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole
SMILESCC1CN(C(C)C)c2ccc3c(Br)cccc3c21
InChIInChI=1S/C16H18BrN/c1-10(2)18-9-11(3)16-13-5-4-6-14(17)12(13)7-8-15(16)18/h4-8,10-11H,9H2,1-3H3
InChIKeyGIYGRYBENJNTGZ-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-1-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydrobenzo[e]indole
CID 163282318
6-bromo-3-(4-methoxyphenyl)-1-methyl-1,2-dihydrobenzo[e]indole
CID 163282260
1-(6-bromo-1-methyl-1,2-dihydrobenzo[e]indol-3-yl)-2-phenylethanimine
CID 167696149
1-(6-bromo-1-methyl-1,2-dihydrobenzo[e]indol-3-yl)-2-(4-fluorophenyl)ethanimine
CID 167650269
3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117200144
1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole
CID 163282328
methyl 4-bromo-3-methyl-1-propan-2-yl-2,3-dihydroindole-6-carboxylate
CID 155591593
6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole
CID 163282324
1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol
CID 161493495
6-chloro-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
CID 155408366
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 117200097
4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one
CID 116983167

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole?
The IUPAC name of 6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole (CID 163282285) is 6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole.
What is the SMILES notation for 6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole?
The canonical SMILES for 6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole is CC1CN(C(C)C)c2ccc3c(Br)cccc3c21.
What is the InChIKey of 6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole?
The InChIKey is GIYGRYBENJNTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-10(2)18-9-11(3)16-13-5-4-6-14(17)12(13)7-8-15(16)18/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole?
6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole has a molecular weight of 304.23 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole is sourced from PubChem (CID 163282285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).