3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine

C12H14FNO2 — CID 104706926

IUPAC3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
SMILESCOc1ccc(OCCF)c(C#CCN)c1
InChIInChI=1S/C12H14FNO2/c1-15-11-4-5-12(16-8-6-13)10(9-11)3-2-7-14/h4-5,9H,6-8,14H2,1H3
InChIKeyGEYSZOJRCCEUEU-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.35
Rot. Bonds4

About 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine

3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine (PubChem CID 104706926) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
PubChem CID104706926
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
SMILESCOc1ccc(OCCF)c(C#CCN)c1
InChIInChI=1S/C12H14FNO2/c1-15-11-4-5-12(16-8-6-13)10(9-11)3-2-7-14/h4-5,9H,6-8,14H2,1H3
InChIKeyGEYSZOJRCCEUEU-UHFFFAOYSA-N
XLogP1.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706465
3-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 104706985
3-[2-(cyclopentylmethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706862
3-[5-methoxy-2-(2-pyridin-3-ylethoxy)phenyl]prop-2-yn-1-amine
CID 104707028
3-[5-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 103012969
3-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706915
3-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]prop-2-yn-1-amine
CID 104706850
3-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801672
3-[5-methoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 104706976
3-[5-methoxy-2-(oxolan-3-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 104706960
3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706556
3-[2-(2-ethylcyclohexyl)oxy-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706920

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine (CID 104706926) is 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine is COc1ccc(OCCF)c(C#CCN)c1.
What is the InChIKey of 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine?
The InChIKey is GEYSZOJRCCEUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-15-11-4-5-12(16-8-6-13)10(9-11)3-2-7-14/h4-5,9H,6-8,14H2,1H3.
What are the key properties of 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine?
3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine has a molecular weight of 223.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine is sourced from PubChem (CID 104706926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).