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

C15H15F2NO — CID 63802336

IUPAC1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2cccc(F)c2F)cc1
InChIInChI=1S/C15H15F2NO/c1-10(18)9-11-5-7-12(8-6-11)19-14-4-2-3-13(16)15(14)17/h2-8,10H,9,18H2,1H3
InChIKeyOOHKUDWXBQVHLT-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.65
Rot. Bonds4

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

1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine (PubChem CID 63802336) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine
PubChem CID63802336
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2cccc(F)c2F)cc1
InChIInChI=1S/C15H15F2NO/c1-10(18)9-11-5-7-12(8-6-11)19-14-4-2-3-13(16)15(14)17/h2-8,10H,9,18H2,1H3
InChIKeyOOHKUDWXBQVHLT-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
1-[4-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63802154
1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine
CID 63036952
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
2-[4-[2-(1-aminoethyl)-3-fluorophenoxy]phenyl]acetonitrile
CID 43189143
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
4-(2,3-difluorophenoxy)benzenecarbothioamide
CID 63038333
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine (CID 63802336) is 1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(Oc2cccc(F)c2F)cc1.
What is the InChIKey of 1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine?
The InChIKey is OOHKUDWXBQVHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(18)9-11-5-7-12(8-6-11)19-14-4-2-3-13(16)15(14)17/h2-8,10H,9,18H2,1H3.
What are the key properties of 1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine?
1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine has a molecular weight of 263.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63802336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).