1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole

C20H22FN — CID 150635589

IUPAC1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole
SMILESCCC(c1cccc(F)c1)n1cc(C(C)C)c2ccccc21
InChIInChI=1S/C20H22FN/c1-4-19(15-8-7-9-16(21)12-15)22-13-18(14(2)3)17-10-5-6-11-20(17)22/h5-14,19H,4H2,1-3H3
InChIKeyIYUVNGYIDCVIGS-UHFFFAOYSA-N
MW295.40 g/mol
LogP5.90
Rot. Bonds4

About 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole

1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole (PubChem CID 150635589) has the molecular formula C20H22FN and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole
PubChem CID150635589
Molecular FormulaC20H22FN
Molecular Weight295.40 g/mol
Exact Mass295.17
IUPAC Name1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole
SMILESCCC(c1cccc(F)c1)n1cc(C(C)C)c2ccccc21
InChIInChI=1S/C20H22FN/c1-4-19(15-8-7-9-16(21)12-15)22-13-18(14(2)3)17-10-5-6-11-20(17)22/h5-14,19H,4H2,1-3H3
InChIKeyIYUVNGYIDCVIGS-UHFFFAOYSA-N
XLogP5.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.40
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole
CID 141126920
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol
CID 25253859
5-fluoro-1-[1-(3-fluorophenyl)propyl]indole
CID 174528238
3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine
CID 141126993
3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 141127005
(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone
CID 170857227
1-(1-bromopropyl)-3-fluorobenzene
CID 70101936
6-fluoro-1-methyl-3-propan-2-ylindole
CID 58525499
1-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
(2S,3S)-3-(3-tert-butylindol-1-yl)-3-(3-fluorophenyl)propane-1,2-diol
CID 68908036
(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81352245
1-methyl-3-propan-2-ylindole
CID 10942942

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole?
The IUPAC name of 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole (CID 150635589) is 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole.
What is the SMILES notation for 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole?
The canonical SMILES for 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole is CCC(c1cccc(F)c1)n1cc(C(C)C)c2ccccc21.
What is the InChIKey of 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole?
The InChIKey is IYUVNGYIDCVIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN/c1-4-19(15-8-7-9-16(21)12-15)22-13-18(14(2)3)17-10-5-6-11-20(17)22/h5-14,19H,4H2,1-3H3.
What are the key properties of 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole?
1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole has a molecular weight of 295.40 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole is sourced from PubChem (CID 150635589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).