2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine

C17H16F2N2 — CID 83976575

IUPAC2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H16F2N2/c18-13-3-1-2-11(7-13)6-12(9-20)16-10-21-17-5-4-14(19)8-15(16)17/h1-5,7-8,10,12,21H,6,9,20H2
InChIKeyIDUTVVRJHKLGSM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.73
Rot. Bonds4

About 2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine

2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine (PubChem CID 83976575) has the molecular formula C17H16F2N2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
PubChem CID83976575
Molecular FormulaC17H16F2N2
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H16F2N2/c18-13-3-1-2-11(7-13)6-12(9-20)16-10-21-17-5-4-14(19)8-15(16)17/h1-5,7-8,10,12,21H,6,9,20H2
InChIKeyIDUTVVRJHKLGSM-UHFFFAOYSA-N
XLogP3.73
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
CID 83976530
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976577
2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83976499
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
CID 83976598
3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 112539142
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 83976433
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976611

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine (CID 83976575) is 2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine is NCC(Cc1cccc(F)c1)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is IDUTVVRJHKLGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2/c18-13-3-1-2-11(7-13)6-12(9-20)16-10-21-17-5-4-14(19)8-15(16)17/h1-5,7-8,10,12,21H,6,9,20H2.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine?
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 286.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 83976575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).