3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine

C18H19FN2 — CID 58088567

IUPAC3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(F)cc1)n1ccc2ccccc21
InChIInChI=1S/C18H19FN2/c1-20-12-10-18(15-6-8-16(19)9-7-15)21-13-11-14-4-2-3-5-17(14)21/h2-9,11,13,18,20H,10,12H2,1H3
InChIKeyHRLJDOKNAQMBOA-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.98
Rot. Bonds5

About 3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine

3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine (PubChem CID 58088567) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine
PubChem CID58088567
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(F)cc1)n1ccc2ccccc21
InChIInChI=1S/C18H19FN2/c1-20-12-10-18(15-6-8-16(19)9-7-15)21-13-11-14-4-2-3-5-17(14)21/h2-9,11,13,18,20H,10,12H2,1H3
InChIKeyHRLJDOKNAQMBOA-UHFFFAOYSA-N
XLogP3.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine
CID 141126991
1-[1-(4-methylphenyl)pentyl]indole
CID 56986227
3-indol-1-yl-3-phenylpropan-1-amine
CID 58088429
3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088506
1-[1-(4-methylphenyl)propyl]indole
CID 141127002
3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
CID 58088507
(2R,3S)-3-(3-fluorophenyl)-3-indol-1-yl-N-methyl-2-nitrosopropan-1-amine
CID 163725761
1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine
CID 83918946
(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 45483087

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine (CID 58088567) is 3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine is CNCCC(c1ccc(F)cc1)n1ccc2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine?
The InChIKey is HRLJDOKNAQMBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-20-12-10-18(15-6-8-16(19)9-7-15)21-13-11-14-4-2-3-5-17(14)21/h2-9,11,13,18,20H,10,12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine?
3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine has a molecular weight of 282.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine is sourced from PubChem (CID 58088567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).