1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine

C19H22BrN — CID 115864882

IUPAC1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc2c(c1)CCC2)c1cccc(Br)c1C
InChIInChI=1S/C19H22BrN/c1-13-17(7-4-8-18(13)20)19(21-2)12-14-9-10-15-5-3-6-16(15)11-14/h4,7-11,19,21H,3,5-6,12H2,1-2H3
InChIKeyFDTDLAZHBREDMQ-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.75
Rot. Bonds4

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

1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine (PubChem CID 115864882) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
PubChem CID115864882
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc2c(c1)CCC2)c1cccc(Br)c1C
InChIInChI=1S/C19H22BrN/c1-13-17(7-4-8-18(13)20)19(21-2)12-14-9-10-15-5-3-6-16(15)11-14/h4,7-11,19,21H,3,5-6,12H2,1-2H3
InChIKeyFDTDLAZHBREDMQ-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865099
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103043118
1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865010
1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 106857743
1-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864881
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine
CID 114979373
[(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 114195253
[2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylphenyl)ethyl]hydrazine
CID 105200358
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine
CID 105007883

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine (CID 115864882) is 1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine is CNC(Cc1ccc2c(c1)CCC2)c1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The InChIKey is FDTDLAZHBREDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-13-17(7-4-8-18(13)20)19(21-2)12-14-9-10-15-5-3-6-16(15)11-14/h4,7-11,19,21H,3,5-6,12H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine has a molecular weight of 344.30 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine is sourced from PubChem (CID 115864882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).