2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine

C13H18BrNO — CID 117457103

IUPAC2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
SMILESCNCCc1cc2c(c(Br)c1OC)CCC2
InChIInChI=1S/C13H18BrNO/c1-15-7-6-10-8-9-4-3-5-11(9)12(14)13(10)16-2/h8,15H,3-7H2,1-2H3
InChIKeyCSVGYCBFCPUZKV-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.71
Rot. Bonds4

About 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine

2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine (PubChem CID 117457103) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
PubChem CID117457103
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
SMILESCNCCc1cc2c(c(Br)c1OC)CCC2
InChIInChI=1S/C13H18BrNO/c1-15-7-6-10-8-9-4-3-5-11(9)12(14)13(10)16-2/h8,15H,3-7H2,1-2H3
InChIKeyCSVGYCBFCPUZKV-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanal
CID 117496048
O-[2-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethyl]hydroxylamine
CID 117499820
1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 117454974
2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine
CID 117495196
7-bromo-6-methoxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 117383062
4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
CID 84712946
2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 83902051
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117481875
[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117495126
1-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84715361
N-[(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]hydroxylamine
CID 117327723
2-methoxy-3-methyl-6-[2-(methylamino)ethyl]phenol
CID 84666297

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The IUPAC name of 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine (CID 117457103) is 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine is CNCCc1cc2c(c(Br)c1OC)CCC2.
What is the InChIKey of 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The InChIKey is CSVGYCBFCPUZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-15-7-6-10-8-9-4-3-5-11(9)12(14)13(10)16-2/h8,15H,3-7H2,1-2H3.
What are the key properties of 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine has a molecular weight of 284.20 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine is sourced from PubChem (CID 117457103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).