1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine

C19H22BrN — CID 115865010

IUPAC1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc2c(c1)CCC2)c1ccc(Br)c(C)c1
InChIInChI=1S/C19H22BrN/c1-13-10-17(8-9-18(13)20)19(21-2)12-14-6-7-15-4-3-5-16(15)11-14/h6-11,19,21H,3-5,12H2,1-2H3
InChIKeyPYHJVPKGHUPYCZ-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.75
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine

1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine (PubChem CID 115865010) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
PubChem CID115865010
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc2c(c1)CCC2)c1ccc(Br)c(C)c1
InChIInChI=1S/C19H22BrN/c1-13-10-17(8-9-18(13)20)19(21-2)12-14-6-7-15-4-3-5-16(15)11-14/h6-11,19,21H,3-5,12H2,1-2H3
InChIKeyPYHJVPKGHUPYCZ-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-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310656
1-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864881
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864882
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 105036828
1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030035
1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865099
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 43491775
1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63412697
1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 106857743
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
2-(2-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115843230

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine (CID 115865010) is 1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine is CNC(Cc1ccc2c(c1)CCC2)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The InChIKey is PYHJVPKGHUPYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-13-10-17(8-9-18(13)20)19(21-2)12-14-6-7-15-4-3-5-16(15)11-14/h6-11,19,21H,3-5,12H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
1-(4-bromo-3-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-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine is sourced from PubChem (CID 115865010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).