2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine

C18H20BrN — CID 65404361

IUPAC2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)C1CCc2ccccc21
InChIInChI=1S/C18H20BrN/c1-20-18(12-13-6-9-15(19)10-7-13)17-11-8-14-4-2-3-5-16(14)17/h2-7,9-10,17-18,20H,8,11-12H2,1H3
InChIKeyWMVLOHSAPMWLGR-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.31
Rot. Bonds4

About 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine

2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine (PubChem CID 65404361) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
PubChem CID65404361
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)C1CCc2ccccc21
InChIInChI=1S/C18H20BrN/c1-20-18(12-13-6-9-15(19)10-7-13)17-11-8-14-4-2-3-5-16(14)17/h2-7,9-10,17-18,20H,8,11-12H2,1H3
InChIKeyWMVLOHSAPMWLGR-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404945
2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 104802066
1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 65406106
1-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 79575248
N-methyl-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 63251085
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873
[1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105234418
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234372
2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425315
[1-(2,3-dihydro-1H-inden-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105234410
2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 61065850
2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79748582

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine (CID 65404361) is 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)C1CCc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine?
The InChIKey is WMVLOHSAPMWLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-20-18(12-13-6-9-15(19)10-7-13)17-11-8-14-4-2-3-5-16(14)17/h2-7,9-10,17-18,20H,8,11-12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine?
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine has a molecular weight of 330.27 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine is sourced from PubChem (CID 65404361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).