2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole

C16H16BrNO — CID 62205043

IUPAC2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
SMILESBrc1cccc(OCCN2Cc3ccccc3C2)c1
InChIInChI=1S/C16H16BrNO/c17-15-6-3-7-16(10-15)19-9-8-18-11-13-4-1-2-5-14(13)12-18/h1-7,10H,8-9,11-12H2
InChIKeyRVBWXLVGINUWAN-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.84
Rot. Bonds4

About 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole

2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole (PubChem CID 62205043) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
PubChem CID62205043
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
SMILESBrc1cccc(OCCN2Cc3ccccc3C2)c1
InChIInChI=1S/C16H16BrNO/c17-15-6-3-7-16(10-15)19-9-8-18-11-13-4-1-2-5-14(13)12-18/h1-7,10H,8-9,11-12H2
InChIKeyRVBWXLVGINUWAN-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole 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-[2-(3-bromophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336045
2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63309734
1-[2-(3-bromophenoxy)ethyl]-4-(2-chloroethyl)-1,4-diazepane
CID 63387700
4-[2-(3-bromophenoxy)ethyl]-1,4-thiazepane
CID 54971594
1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane
CID 63456840
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
CID 106838322
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]aniline
CID 55050236
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588
1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide
CID 9442914

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole (CID 62205043) is 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole is Brc1cccc(OCCN2Cc3ccccc3C2)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole?
The InChIKey is RVBWXLVGINUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-15-6-3-7-16(10-15)19-9-8-18-11-13-4-1-2-5-14(13)12-18/h1-7,10H,8-9,11-12H2.
What are the key properties of 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole?
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole has a molecular weight of 318.21 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole is sourced from PubChem (CID 62205043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).