3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline

C15H15BrN2 — CID 80650469

IUPAC3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
SMILESBrc1cccc(NCc2cccc3c2NCC3)c1
InChIInChI=1S/C15H15BrN2/c16-13-5-2-6-14(9-13)18-10-12-4-1-3-11-7-8-17-15(11)12/h1-6,9,17-18H,7-8,10H2
InChIKeyWNPUBQVNKRLEDC-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.03
Rot. Bonds3

About 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline

3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline (PubChem CID 80650469) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
PubChem CID80650469
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
SMILESBrc1cccc(NCc2cccc3c2NCC3)c1
InChIInChI=1S/C15H15BrN2/c16-13-5-2-6-14(9-13)18-10-12-4-1-3-11-7-8-17-15(11)12/h1-6,9,17-18H,7-8,10H2
InChIKeyWNPUBQVNKRLEDC-UHFFFAOYSA-N
XLogP4.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80648678
4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
CID 80649143
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1H-indazol-5-amine
CID 80648541
4-bromo-2-(2,3-dihydro-1H-indol-7-ylmethylamino)benzonitrile
CID 107797533
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
CID 107630131
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
CID 80650265
N-(2,3-dihydro-1H-indol-7-ylmethyl)-5-fluoropyridin-3-amine
CID 114254338
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114838905
2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
CID 80650196

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline?
The IUPAC name of 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline (CID 80650469) is 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline?
The canonical SMILES for 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline is Brc1cccc(NCc2cccc3c2NCC3)c1.
What is the InChIKey of 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline?
The InChIKey is WNPUBQVNKRLEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c16-13-5-2-6-14(9-13)18-10-12-4-1-3-11-7-8-17-15(11)12/h1-6,9,17-18H,7-8,10H2.
What are the key properties of 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline?
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline has a molecular weight of 303.20 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline is sourced from PubChem (CID 80650469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).