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

C19H22FN — CID 105374018

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)C1Cc2ccccc2C1
InChIInChI=1S/C19H22FN/c1-13-7-8-18(20)11-16(13)12-19(21-2)17-9-14-5-3-4-6-15(14)10-17/h3-8,11,17,19,21H,9-10,12H2,1-2H3
InChIKeyXTIYEFYUGINUPV-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.68
Rot. Bonds4

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

1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 105374018) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID105374018
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)C1Cc2ccccc2C1
InChIInChI=1S/C19H22FN/c1-13-7-8-18(20)11-16(13)12-19(21-2)17-9-14-5-3-4-6-15(14)10-17/h3-8,11,17,19,21H,9-10,12H2,1-2H3
InChIKeyXTIYEFYUGINUPV-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,3-dihydro-1H-inden-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105234257
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377331
[1-(2,3-dihydro-1H-inden-2-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105234118
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
CID 79700045
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373456
1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
CID 105373668
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374162
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 114347797
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (CID 105374018) is 1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1C)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is XTIYEFYUGINUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-13-7-8-18(20)11-16(13)12-19(21-2)17-9-14-5-3-4-6-15(14)10-17/h3-8,11,17,19,21H,9-10,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 283.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105374018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).