3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine

C17H17FN2 — CID 83968612

IUPAC3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine
SMILESNCCCn1ccc2cc(-c3cccc(F)c3)ccc21
InChIInChI=1S/C17H17FN2/c18-16-4-1-3-13(12-16)14-5-6-17-15(11-14)7-10-20(17)9-2-8-19/h1,3-7,10-12H,2,8-9,19H2
InChIKeyFZRGEYZKRWTCSX-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.80
Rot. Bonds4

About 3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine

3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine (PubChem CID 83968612) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine
PubChem CID83968612
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine
SMILESNCCCn1ccc2cc(-c3cccc(F)c3)ccc21
InChIInChI=1S/C17H17FN2/c18-16-4-1-3-13(12-16)14-5-6-17-15(11-14)7-10-20(17)9-2-8-19/h1,3-7,10-12H,2,8-9,19H2
InChIKeyFZRGEYZKRWTCSX-UHFFFAOYSA-N
XLogP3.80
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-indol-1-ylpropan-1-amine
CID 2512786
2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
CID 46997757
1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole
CID 174559191
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
5-(3-fluorophenyl)-1-methylindazole
CID 134375389
4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one
CID 63851293
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
CID 170867983
5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine
CID 42454381
4-(5-fluoroindol-1-yl)-N-propylbutan-1-amine
CID 63852511
3-(5,6-diethoxyindol-1-yl)propan-1-amine
CID 83948448
2-(5-pyrimidin-2-ylindol-1-yl)ethanol
CID 137376283

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine (CID 83968612) is 3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine is NCCCn1ccc2cc(-c3cccc(F)c3)ccc21.
What is the InChIKey of 3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine?
The InChIKey is FZRGEYZKRWTCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c18-16-4-1-3-13(12-16)14-5-6-17-15(11-14)7-10-20(17)9-2-8-19/h1,3-7,10-12H,2,8-9,19H2.
What are the key properties of 3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine?
3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine has a molecular weight of 268.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 83968612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).