1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine

C16H17F2NO — CID 107661710

IUPAC1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CC(C)N)cc2F)c1F
InChIInChI=1S/C16H17F2NO/c1-10-4-3-5-15(16(10)18)20-14-7-6-12(8-11(2)19)9-13(14)17/h3-7,9,11H,8,19H2,1-2H3
InChIKeyRQGHAYVKWUDYDE-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.96
Rot. Bonds4

About 1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine

1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine (PubChem CID 107661710) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
PubChem CID107661710
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CC(C)N)cc2F)c1F
InChIInChI=1S/C16H17F2NO/c1-10-4-3-5-15(16(10)18)20-14-7-6-12(8-11(2)19)9-13(14)17/h3-7,9,11H,8,19H2,1-2H3
InChIKeyRQGHAYVKWUDYDE-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine
CID 63803510
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
(1R)-1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]ethanol
CID 107659139
1-[4-(5-bromo-2,3-difluorophenoxy)-3-methylphenyl]propan-2-amine
CID 107101984
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine
CID 63802336
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine
CID 107693102
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine (CID 107661710) is 1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine is Cc1cccc(Oc2ccc(CC(C)N)cc2F)c1F.
What is the InChIKey of 1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine?
The InChIKey is RQGHAYVKWUDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-4-3-5-15(16(10)18)20-14-7-6-12(8-11(2)19)9-13(14)17/h3-7,9,11H,8,19H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine?
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine has a molecular weight of 277.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 107661710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).