1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine

C15H15ClFNO — CID 63804291

IUPAC1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1Oc1ccccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10(18)8-11-9-12(17)6-7-14(11)19-15-5-3-2-4-13(15)16/h2-7,9-10H,8,18H2,1H3
InChIKeyBGCMDGNVOSYASD-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.16
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine

1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine (PubChem CID 63804291) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
PubChem CID63804291
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1Oc1ccccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10(18)8-11-9-12(17)6-7-14(11)19-15-5-3-2-4-13(15)16/h2-7,9-10H,8,18H2,1H3
InChIKeyBGCMDGNVOSYASD-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.16
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
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411
1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114862732
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 116690754
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine (CID 63804291) is 1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1Oc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine?
The InChIKey is BGCMDGNVOSYASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(18)8-11-9-12(17)6-7-14(11)19-15-5-3-2-4-13(15)16/h2-7,9-10H,8,18H2,1H3.
What are the key properties of 1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine?
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine has a molecular weight of 279.74 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 63804291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).