3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine

C18H21FN2 — CID 62644421

IUPAC3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C18H21FN2/c1-20-17(15-6-4-7-16(19)13-15)10-12-21-11-9-14-5-2-3-8-18(14)21/h2-8,13,17,20H,9-12H2,1H3
InChIKeyJUSJSRZQZMVJBS-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.54
Rot. Bonds5

About 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine

3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 62644421) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID62644421
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C18H21FN2/c1-20-17(15-6-4-7-16(19)13-15)10-12-21-11-9-14-5-2-3-8-18(14)21/h2-8,13,17,20H,9-12H2,1H3
InChIKeyJUSJSRZQZMVJBS-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 55160971
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62618338
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79933339
1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274437
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine (CID 62644421) is 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine is CNC(CCN1CCc2ccccc21)c1cccc(F)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is JUSJSRZQZMVJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-20-17(15-6-4-7-16(19)13-15)10-12-21-11-9-14-5-2-3-8-18(14)21/h2-8,13,17,20H,9-12H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine?
3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 284.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62644421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).