1-[3-(2-fluorophenoxy)phenyl]propan-1-amine

C15H16FNO — CID 114079138

IUPAC1-[3-(2-fluorophenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(Oc2ccccc2F)c1
InChIInChI=1S/C15H16FNO/c1-2-14(17)11-6-5-7-12(10-11)18-15-9-4-3-8-13(15)16/h3-10,14H,2,17H2,1H3
InChIKeyGBUNINPYTILRAQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP4.03
Rot. Bonds4

About 1-[3-(2-fluorophenoxy)phenyl]propan-1-amine

1-[3-(2-fluorophenoxy)phenyl]propan-1-amine (PubChem CID 114079138) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[3-(2-fluorophenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(2-fluorophenoxy)phenyl]propan-1-amine
PubChem CID114079138
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-[3-(2-fluorophenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(Oc2ccccc2F)c1
InChIInChI=1S/C15H16FNO/c1-2-14(17)11-6-5-7-12(10-11)18-15-9-4-3-8-13(15)16/h3-10,14H,2,17H2,1H3
InChIKeyGBUNINPYTILRAQ-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine
CID 113247632
N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 79167760
(1S)-1-(3,4-diphenoxyphenyl)propan-1-amine
CID 171217949
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
1-[3-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 79167584

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[3-(2-fluorophenoxy)phenyl]propan-1-amine (CID 114079138) is 1-[3-(2-fluorophenoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(2-fluorophenoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[3-(2-fluorophenoxy)phenyl]propan-1-amine is CCC(N)c1cccc(Oc2ccccc2F)c1.
What is the InChIKey of 1-[3-(2-fluorophenoxy)phenyl]propan-1-amine?
The InChIKey is GBUNINPYTILRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-14(17)11-6-5-7-12(10-11)18-15-9-4-3-8-13(15)16/h3-10,14H,2,17H2,1H3.
What are the key properties of 1-[3-(2-fluorophenoxy)phenyl]propan-1-amine?
1-[3-(2-fluorophenoxy)phenyl]propan-1-amine has a molecular weight of 245.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 114079138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).