N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine

C16H21FN2 — CID 82500619

IUPACN-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine
SMILESCn1cc(CCNC2CCCC2)c2cc(F)ccc21
InChIInChI=1S/C16H21FN2/c1-19-11-12(8-9-18-14-4-2-3-5-14)15-10-13(17)6-7-16(15)19/h6-7,10-11,14,18H,2-5,8-9H2,1H3
InChIKeyMBABXZCIQCWVEZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.39
Rot. Bonds4

About N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine

N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine (PubChem CID 82500619) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine
PubChem CID82500619
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC NameN-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine
SMILESCn1cc(CCNC2CCCC2)c2cc(F)ccc21
InChIInChI=1S/C16H21FN2/c1-19-11-12(8-9-18-14-4-2-3-5-14)15-10-13(17)6-7-16(15)19/h6-7,10-11,14,18H,2-5,8-9H2,1H3
InChIKeyMBABXZCIQCWVEZ-UHFFFAOYSA-N
XLogP3.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine (CID 82500619) is N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine is Cn1cc(CCNC2CCCC2)c2cc(F)ccc21.
What is the InChIKey of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine?
The InChIKey is MBABXZCIQCWVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-19-11-12(8-9-18-14-4-2-3-5-14)15-10-13(17)6-7-16(15)19/h6-7,10-11,14,18H,2-5,8-9H2,1H3.
What are the key properties of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine?
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine has a molecular weight of 260.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 82500619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).