1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine

C15H14F3NO — CID 63803510

IUPAC1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-9(19)6-10-2-5-14(13(18)7-10)20-15-8-11(16)3-4-12(15)17/h2-5,7-9H,6,19H2,1H3
InChIKeyFNFMSKDDZZEUBR-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.79
Rot. Bonds4

About 1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine

1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine (PubChem CID 63803510) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine
PubChem CID63803510
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-9(19)6-10-2-5-14(13(18)7-10)20-15-8-11(16)3-4-12(15)17/h2-5,7-9H,6,19H2,1H3
InChIKeyFNFMSKDDZZEUBR-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80639619
1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine
CID 107693102
1-[4-(2-bromo-4-fluorophenoxy)-3-fluorophenyl]butan-2-amine
CID 63816803
1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817670
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine (CID 63803510) is 1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine is CC(N)Cc1ccc(Oc2cc(F)ccc2F)c(F)c1.
What is the InChIKey of 1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine?
The InChIKey is FNFMSKDDZZEUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9(19)6-10-2-5-14(13(18)7-10)20-15-8-11(16)3-4-12(15)17/h2-5,7-9H,6,19H2,1H3.
What are the key properties of 1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine?
1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine has a molecular weight of 281.28 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 63803510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).