1-[(2-bromophenyl)methyl]-7-ethylindole

C17H16BrN — CID 116618984

IUPAC1-[(2-bromophenyl)methyl]-7-ethylindole
SMILESCCc1cccc2ccn(Cc3ccccc3Br)c12
InChIInChI=1S/C17H16BrN/c1-2-13-7-5-8-14-10-11-19(17(13)14)12-15-6-3-4-9-16(15)18/h3-11H,2,12H2,1H3
InChIKeyQEBFNLAQCILKQB-UHFFFAOYSA-N
MW314.23 g/mol
LogP5.01
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-7-ethylindole

1-[(2-bromophenyl)methyl]-7-ethylindole (PubChem CID 116618984) has the molecular formula C17H16BrN and a molecular weight of 314.23 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-7-ethylindole.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-7-ethylindole
PubChem CID116618984
Molecular FormulaC17H16BrN
Molecular Weight314.23 g/mol
Exact Mass313.05
IUPAC Name1-[(2-bromophenyl)methyl]-7-ethylindole
SMILESCCc1cccc2ccn(Cc3ccccc3Br)c12
InChIInChI=1S/C17H16BrN/c1-2-13-7-5-8-14-10-11-19(17(13)14)12-15-6-3-4-9-16(15)18/h3-11H,2,12H2,1H3
InChIKeyQEBFNLAQCILKQB-UHFFFAOYSA-N
XLogP5.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.23
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine
CID 102917143
5-bromo-2-[(7-ethylindol-1-yl)methyl]aniline
CID 114380529
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
7-ethyl-1-prop-2-ynylindole
CID 116618856
1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
CID 116618712
4-chloro-3-[(7-ethylindol-1-yl)methyl]aniline
CID 43169098
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
4-[(7-ethylindol-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 62273625
1-(2,2-difluoro-2-phenylethyl)-7-ethylindole
CID 116790673
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054395
7-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116618872

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-7-ethylindole?
The IUPAC name of 1-[(2-bromophenyl)methyl]-7-ethylindole (CID 116618984) is 1-[(2-bromophenyl)methyl]-7-ethylindole.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-7-ethylindole?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-7-ethylindole is CCc1cccc2ccn(Cc3ccccc3Br)c12.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-7-ethylindole?
The InChIKey is QEBFNLAQCILKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN/c1-2-13-7-5-8-14-10-11-19(17(13)14)12-15-6-3-4-9-16(15)18/h3-11H,2,12H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-7-ethylindole?
1-[(2-bromophenyl)methyl]-7-ethylindole has a molecular weight of 314.23 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-7-ethylindole is sourced from PubChem (CID 116618984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).