3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine

C15H18FNO — CID 54969716

IUPAC3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cc(COC2CCCC2)ccc1F
InChIInChI=1S/C15H18FNO/c16-15-8-7-12(10-13(15)4-3-9-17)11-18-14-5-1-2-6-14/h7-8,10,14H,1-2,5-6,9,11,17H2
InChIKeyJEHBSMKZRVZQAI-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.60
Rot. Bonds3

About 3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine

3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine (PubChem CID 54969716) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine
PubChem CID54969716
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cc(COC2CCCC2)ccc1F
InChIInChI=1S/C15H18FNO/c16-15-8-7-12(10-13(15)4-3-9-17)11-18-14-5-1-2-6-14/h7-8,10,14H,1-2,5-6,9,11,17H2
InChIKeyJEHBSMKZRVZQAI-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine (CID 54969716) is 3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine is NCC#Cc1cc(COC2CCCC2)ccc1F.
What is the InChIKey of 3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine?
The InChIKey is JEHBSMKZRVZQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c16-15-8-7-12(10-13(15)4-3-9-17)11-18-14-5-1-2-6-14/h7-8,10,14H,1-2,5-6,9,11,17H2.
What are the key properties of 3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine?
3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine has a molecular weight of 247.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopentyloxymethyl)-2-fluorophenyl]prop-2-yn-1-amine is sourced from PubChem (CID 54969716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).