2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole

C15H14BrNO — CID 115104079

IUPAC2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole
SMILESBrc1cccc(OCC2Cc3ccccc3N2)c1
InChIInChI=1S/C15H14BrNO/c16-12-5-3-6-14(9-12)18-10-13-8-11-4-1-2-7-15(11)17-13/h1-7,9,13,17H,8,10H2
InChIKeyTUFIUUCTVAVOCZ-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.86
Rot. Bonds3

About 2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole

2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole (PubChem CID 115104079) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole
PubChem CID115104079
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole
SMILESBrc1cccc(OCC2Cc3ccccc3N2)c1
InChIInChI=1S/C15H14BrNO/c16-12-5-3-6-14(9-12)18-10-13-8-11-4-1-2-7-15(11)17-13/h1-7,9,13,17H,8,10H2
InChIKeyTUFIUUCTVAVOCZ-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104442
2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole
CID 65041795
2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104070
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
5-[(3-bromophenoxy)methyl]-2-methylmorpholine
CID 82307608
4-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104305
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
CID 66321596

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole (CID 115104079) is 2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole is Brc1cccc(OCC2Cc3ccccc3N2)c1.
What is the InChIKey of 2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole?
The InChIKey is TUFIUUCTVAVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-12-5-3-6-14(9-12)18-10-13-8-11-4-1-2-7-15(11)17-13/h1-7,9,13,17H,8,10H2.
What are the key properties of 2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole?
2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole has a molecular weight of 304.19 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115104079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).