2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine

C18H20BrNO — CID 65410340

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)C2CCc3ccccc32)c1
InChIInChI=1S/C18H20BrNO/c1-21-14-7-9-17(19)13(10-14)11-18(20)16-8-6-12-4-2-3-5-15(12)16/h2-5,7,9-10,16,18H,6,8,11,20H2,1H3
InChIKeyMUGAVZZZNBEYBH-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.06
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine

2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine (PubChem CID 65410340) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
PubChem CID65410340
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)C2CCc3ccccc32)c1
InChIInChI=1S/C18H20BrNO/c1-21-14-7-9-17(19)13(10-14)11-18(20)16-8-6-12-4-2-3-5-15(12)16/h2-5,7,9-10,16,18H,6,8,11,20H2,1H3
InChIKeyMUGAVZZZNBEYBH-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105151013
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65405510
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862194
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115862299
2-[(2-bromo-5-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 65327001
2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine
CID 65412498
2-(2-bromo-5-methoxyphenyl)-1-(thian-2-yl)ethanamine
CID 80626770
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65405905
1-(2,3-dihydro-1H-inden-1-yl)-2-phenylethanamine
CID 65405904
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
(2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 62719512
1-[(2-bromo-5-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65325379

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine (CID 65410340) is 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine is COc1ccc(Br)c(CC(N)C2CCc3ccccc32)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
The InChIKey is MUGAVZZZNBEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-21-14-7-9-17(19)13(10-14)11-18(20)16-8-6-12-4-2-3-5-15(12)16/h2-5,7,9-10,16,18H,6,8,11,20H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine has a molecular weight of 346.27 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine is sourced from PubChem (CID 65410340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).