2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine

C17H17BrN2 — CID 102917143

IUPAC2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine
SMILESNCCc1cccc2ccn(Cc3ccccc3Br)c12
InChIInChI=1S/C17H17BrN2/c18-16-7-2-1-4-15(16)12-20-11-9-14-6-3-5-13(8-10-19)17(14)20/h1-7,9,11H,8,10,12,19H2
InChIKeyMVVZUDKLLGYNIW-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.95
Rot. Bonds4

About 2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine

2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine (PubChem CID 102917143) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine
PubChem CID102917143
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine
SMILESNCCc1cccc2ccn(Cc3ccccc3Br)c12
InChIInChI=1S/C17H17BrN2/c18-16-7-2-1-4-15(16)12-20-11-9-14-6-3-5-13(8-10-19)17(14)20/h1-7,9,11H,8,10,12,19H2
InChIKeyMVVZUDKLLGYNIW-UHFFFAOYSA-N
XLogP3.95
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
2-(1-propylindol-7-yl)ethanamine
CID 102917066
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
CID 102917161
2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine
CID 102940691
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine
CID 102917151
2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine
CID 106720962
2-[1-(2-thiophen-3-ylethyl)indol-7-yl]ethanamine
CID 102917113
[1-[(2-chloro-3-fluorophenyl)methyl]indol-7-yl]methanamine
CID 115984379
5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102917116
5-bromo-2-[(7-ethylindol-1-yl)methyl]aniline
CID 114380529
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
2-[1-[2-(oxolan-2-yl)ethyl]indol-7-yl]ethanamine
CID 102917115

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine?
The IUPAC name of 2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine (CID 102917143) is 2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine is NCCc1cccc2ccn(Cc3ccccc3Br)c12.
What is the InChIKey of 2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine?
The InChIKey is MVVZUDKLLGYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c18-16-7-2-1-4-15(16)12-20-11-9-14-6-3-5-13(8-10-19)17(14)20/h1-7,9,11H,8,10,12,19H2.
What are the key properties of 2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine?
2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine has a molecular weight of 329.24 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine is sourced from PubChem (CID 102917143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).