1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine

C15H15ClFNO — CID 82727101

IUPAC1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18)8-11-4-2-3-5-15(11)19-12-6-7-13(16)14(17)9-12/h2-7,9-10H,8,18H2,1H3
InChIKeyARIZYVWVYBZBMJ-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.16
Rot. Bonds4

About 1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine

1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine (PubChem CID 82727101) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
PubChem CID82727101
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18)8-11-4-2-3-5-15(11)19-12-6-7-13(16)14(17)9-12/h2-7,9-10H,8,18H2,1H3
InChIKeyARIZYVWVYBZBMJ-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-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
1-[2-(4-iodophenoxy)phenyl]propan-2-amine
CID 63802805
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
CID 63880238
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291
(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
1-[2-(3-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114863443
1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine
CID 63815038
1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 82716269

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine (CID 82727101) is 1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine is CC(N)Cc1ccccc1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine?
The InChIKey is ARIZYVWVYBZBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(18)8-11-4-2-3-5-15(11)19-12-6-7-13(16)14(17)9-12/h2-7,9-10H,8,18H2,1H3.
What are the key properties of 1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine?
1-[2-(4-chloro-3-fluorophenoxy)phenyl]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-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 82727101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).