3-(7-fluoro-1H-indol-3-yl)propan-1-amine

C11H13FN2 — CID 3992724

IUPAC3-(7-fluoro-1H-indol-3-yl)propan-1-amine
SMILESNCCCc1c[nH]c2c(F)cccc12
InChIInChI=1S/C11H13FN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2
InChIKeyOOYDQQMBWSRGBX-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.20
Rot. Bonds3

About 3-(7-fluoro-1H-indol-3-yl)propan-1-amine

3-(7-fluoro-1H-indol-3-yl)propan-1-amine (PubChem CID 3992724) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(7-fluoro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-fluoro-1H-indol-3-yl)propan-1-amine
PubChem CID3992724
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name3-(7-fluoro-1H-indol-3-yl)propan-1-amine
SMILESNCCCc1c[nH]c2c(F)cccc12
InChIInChI=1S/C11H13FN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2
InChIKeyOOYDQQMBWSRGBX-UHFFFAOYSA-N
XLogP2.20
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(7-fluoro-1H-indol-3-yl)propan-1-amine (CID 3992724) is 3-(7-fluoro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(7-fluoro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(7-fluoro-1H-indol-3-yl)propan-1-amine is NCCCc1c[nH]c2c(F)cccc12.
What is the InChIKey of 3-(7-fluoro-1H-indol-3-yl)propan-1-amine?
The InChIKey is OOYDQQMBWSRGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2.
What are the key properties of 3-(7-fluoro-1H-indol-3-yl)propan-1-amine?
3-(7-fluoro-1H-indol-3-yl)propan-1-amine has a molecular weight of 192.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 3992724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).