1-(4-fluorophenyl)-2-phenoxypropan-1-amine

C15H16FNO — CID 16782575

IUPAC1-(4-fluorophenyl)-2-phenoxypropan-1-amine
SMILESCC(Oc1ccccc1)C(N)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-11(18-14-5-3-2-4-6-14)15(17)12-7-9-13(16)10-8-12/h2-11,15H,17H2,1H3
InChIKeyYDLNDWIKZHBWJN-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-fluorophenyl)-2-phenoxypropan-1-amine

1-(4-fluorophenyl)-2-phenoxypropan-1-amine (PubChem CID 16782575) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-phenoxypropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-phenoxypropan-1-amine
PubChem CID16782575
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-(4-fluorophenyl)-2-phenoxypropan-1-amine
SMILESCC(Oc1ccccc1)C(N)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-11(18-14-5-3-2-4-6-14)15(17)12-7-9-13(16)10-8-12/h2-11,15H,17H2,1H3
InChIKeyYDLNDWIKZHBWJN-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine
CID 16792562
1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine
CID 107523583
2-(4-methylphenoxy)-1-phenylpropan-1-amine
CID 18069726
1-(4-fluorophenyl)-1-phenoxybutan-2-amine
CID 55015456
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
CID 105142039
1-(4-fluorophenoxy)ethanamine
CID 68874100
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
[(1R)-1-fluoroethoxy]benzene
CID 175733278
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 63036757

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-phenoxypropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-phenoxypropan-1-amine (CID 16782575) is 1-(4-fluorophenyl)-2-phenoxypropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-phenoxypropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-phenoxypropan-1-amine is CC(Oc1ccccc1)C(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-phenoxypropan-1-amine?
The InChIKey is YDLNDWIKZHBWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11(18-14-5-3-2-4-6-14)15(17)12-7-9-13(16)10-8-12/h2-11,15H,17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-phenoxypropan-1-amine?
1-(4-fluorophenyl)-2-phenoxypropan-1-amine has a molecular weight of 245.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-phenoxypropan-1-amine is sourced from PubChem (CID 16782575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).