3-[3-(1-fluoroethyl)phenoxy]propan-1-amine

C11H16FNO — CID 115021072

IUPAC3-[3-(1-fluoroethyl)phenoxy]propan-1-amine
SMILESCC(F)c1cccc(OCCCN)c1
InChIInChI=1S/C11H16FNO/c1-9(12)10-4-2-5-11(8-10)14-7-3-6-13/h2,4-5,8-9H,3,6-7,13H2,1H3
InChIKeyDPWCTXVPRXZVTP-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.44
Rot. Bonds5

About 3-[3-(1-fluoroethyl)phenoxy]propan-1-amine

3-[3-(1-fluoroethyl)phenoxy]propan-1-amine (PubChem CID 115021072) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-[3-(1-fluoroethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-fluoroethyl)phenoxy]propan-1-amine
PubChem CID115021072
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-[3-(1-fluoroethyl)phenoxy]propan-1-amine
SMILESCC(F)c1cccc(OCCCN)c1
InChIInChI=1S/C11H16FNO/c1-9(12)10-4-2-5-11(8-10)14-7-3-6-13/h2,4-5,8-9H,3,6-7,13H2,1H3
InChIKeyDPWCTXVPRXZVTP-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine
CID 20567191
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
3-[3-[1-(1-hydroxypyrrolidin-1-ium-1-yl)ethyl]phenoxy]propan-1-amine
CID 20567131
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
1-(2-bromoethoxy)-3-(difluoromethyl)benzene
CID 121207937
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-fluoroethyl)phenoxy]propan-1-amine?
The IUPAC name of 3-[3-(1-fluoroethyl)phenoxy]propan-1-amine (CID 115021072) is 3-[3-(1-fluoroethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[3-(1-fluoroethyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-[3-(1-fluoroethyl)phenoxy]propan-1-amine is CC(F)c1cccc(OCCCN)c1.
What is the InChIKey of 3-[3-(1-fluoroethyl)phenoxy]propan-1-amine?
The InChIKey is DPWCTXVPRXZVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-9(12)10-4-2-5-11(8-10)14-7-3-6-13/h2,4-5,8-9H,3,6-7,13H2,1H3.
What are the key properties of 3-[3-(1-fluoroethyl)phenoxy]propan-1-amine?
3-[3-(1-fluoroethyl)phenoxy]propan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-fluoroethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 115021072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).