2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine

C14H17FN2O — CID 54011465

IUPAC2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine
SMILESCOc1cc(F)cc2c(C3CCCC3N)c[nH]c12
InChIInChI=1S/C14H17FN2O/c1-18-13-6-8(15)5-10-11(7-17-14(10)13)9-3-2-4-12(9)16/h5-7,9,12,17H,2-4,16H2,1H3
InChIKeyKSRCVGHVERGIJH-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.91
Rot. Bonds2

About 2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine

2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine (PubChem CID 54011465) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine
PubChem CID54011465
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine
SMILESCOc1cc(F)cc2c(C3CCCC3N)c[nH]c12
InChIInChI=1S/C14H17FN2O/c1-18-13-6-8(15)5-10-11(7-17-14(10)13)9-3-2-4-12(9)16/h5-7,9,12,17H,2-4,16H2,1H3
InChIKeyKSRCVGHVERGIJH-UHFFFAOYSA-N
XLogP2.91
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine?
The IUPAC name of 2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine (CID 54011465) is 2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine is COc1cc(F)cc2c(C3CCCC3N)c[nH]c12.
What is the InChIKey of 2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine?
The InChIKey is KSRCVGHVERGIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-18-13-6-8(15)5-10-11(7-17-14(10)13)9-3-2-4-12(9)16/h5-7,9,12,17H,2-4,16H2,1H3.
What are the key properties of 2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine?
2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine has a molecular weight of 248.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 54011465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).