1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine

C15H15ClFNO — CID 55022666

IUPAC1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine
SMILESCC(N)C(Oc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10(18)15(13-4-2-3-5-14(13)16)19-12-8-6-11(17)7-9-12/h2-10,15H,18H2,1H3
InChIKeyXOIYNDUUHQDIFG-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.95
Rot. Bonds4

About 1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine

1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine (PubChem CID 55022666) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine
PubChem CID55022666
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine
SMILESCC(N)C(Oc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10(18)15(13-4-2-3-5-14(13)16)19-12-8-6-11(17)7-9-12/h2-10,15H,18H2,1H3
InChIKeyXOIYNDUUHQDIFG-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
1-(2-chlorophenoxy)-1-(2-chlorophenyl)propan-2-amine
CID 55022474
1-(2-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656218
1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 82716782
1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine
CID 102721671
1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62785959
1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine
CID 63461961
1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine
CID 63648489
1-(2-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55023034
1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63458294
1-(4-bromophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 55022646
1-(4-fluorophenoxy)ethanamine
CID 68874100

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine (CID 55022666) is 1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine is CC(N)C(Oc1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine?
The InChIKey is XOIYNDUUHQDIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(18)15(13-4-2-3-5-14(13)16)19-12-8-6-11(17)7-9-12/h2-10,15H,18H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine?
1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine has a molecular weight of 279.74 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine is sourced from PubChem (CID 55022666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).