2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline

C16H17BrN2 — CID 62560115

IUPAC2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline
SMILESBrc1ccccc1NCCN1Cc2ccccc2C1
InChIInChI=1S/C16H17BrN2/c17-15-7-3-4-8-16(15)18-9-10-19-11-13-5-1-2-6-14(13)12-19/h1-8,18H,9-12H2
InChIKeyAVKJTTJTVLIMPA-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.88
Rot. Bonds4

About 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline

2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline (PubChem CID 62560115) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline
PubChem CID62560115
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline
SMILESBrc1ccccc1NCCN1Cc2ccccc2C1
InChIInChI=1S/C16H17BrN2/c17-15-7-3-4-8-16(15)18-9-10-19-11-13-5-1-2-6-14(13)12-19/h1-8,18H,9-12H2
InChIKeyAVKJTTJTVLIMPA-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 62574618
N-[2-(azocan-1-yl)ethyl]-2-bromoaniline
CID 55194723
2-bromo-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]aniline
CID 114540351
2-bromo-N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]aniline
CID 63620691
2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62573893
2-bromo-N-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethyl]aniline
CID 81195520
2-bromo-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]aniline
CID 63167626
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline
CID 62573949
N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024617
N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-2-bromoaniline
CID 62553951
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]-2-bromoaniline
CID 82752272
2-bromo-N-(3-fluoropropyl)aniline
CID 81105386

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline?
The IUPAC name of 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline (CID 62560115) is 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline is Brc1ccccc1NCCN1Cc2ccccc2C1.
What is the InChIKey of 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline?
The InChIKey is AVKJTTJTVLIMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-15-7-3-4-8-16(15)18-9-10-19-11-13-5-1-2-6-14(13)12-19/h1-8,18H,9-12H2.
What are the key properties of 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline?
2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline has a molecular weight of 317.23 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline is sourced from PubChem (CID 62560115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).