[1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine

C15H20FN3 — CID 71151627

IUPAC[1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine
SMILESNCC1CN(CCCc2c[nH]c3ccc(F)cc23)C1
InChIInChI=1S/C15H20FN3/c16-13-3-4-15-14(6-13)12(8-18-15)2-1-5-19-9-11(7-17)10-19/h3-4,6,8,11,18H,1-2,5,7,9-10,17H2
InChIKeyRGRXCQJAXKWDSM-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.13
Rot. Bonds5

About [1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine

[1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine (PubChem CID 71151627) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is [1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine
PubChem CID71151627
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name[1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine
SMILESNCC1CN(CCCc2c[nH]c3ccc(F)cc23)C1
InChIInChI=1S/C15H20FN3/c16-13-3-4-15-14(6-13)12(8-18-15)2-1-5-19-9-11(7-17)10-19/h3-4,6,8,11,18H,1-2,5,7,9-10,17H2
InChIKeyRGRXCQJAXKWDSM-UHFFFAOYSA-N
XLogP2.13
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-[4-[(3S)-3-benzylpiperidin-1-yl]butyl]-5-fluoro-1H-indole
CID 10133399
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile
CID 170040522
4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71151517
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
CID 141385793
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
CID 162675335

Frequently Asked Questions

What is the IUPAC name of [1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine?
The IUPAC name of [1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine (CID 71151627) is [1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine.
What is the SMILES notation for [1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine?
The canonical SMILES for [1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine is NCC1CN(CCCc2c[nH]c3ccc(F)cc23)C1.
What is the InChIKey of [1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine?
The InChIKey is RGRXCQJAXKWDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c16-13-3-4-15-14(6-13)12(8-18-15)2-1-5-19-9-11(7-17)10-19/h3-4,6,8,11,18H,1-2,5,7,9-10,17H2.
What are the key properties of [1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine?
[1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine has a molecular weight of 261.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine is sourced from PubChem (CID 71151627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).