2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol

C15H16FNO2 — CID 170892625

IUPAC2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol
SMILESNC(CO)Cc1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2/c16-12-5-7-14(8-6-12)19-15-4-2-1-3-11(15)9-13(17)10-18/h1-8,13,18H,9-10,17H2
InChIKeyHOBPBLKDLQOGIQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.48
Rot. Bonds5

About 2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol

2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol (PubChem CID 170892625) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol
PubChem CID170892625
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol
SMILESNC(CO)Cc1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2/c16-12-5-7-14(8-6-12)19-15-4-2-1-3-11(15)9-13(17)10-18/h1-8,13,18H,9-10,17H2
InChIKeyHOBPBLKDLQOGIQ-UHFFFAOYSA-N
XLogP2.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol (CID 170892625) is 2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol is NC(CO)Cc1ccccc1Oc1ccc(F)cc1.
What is the InChIKey of 2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol?
The InChIKey is HOBPBLKDLQOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-12-5-7-14(8-6-12)19-15-4-2-1-3-11(15)9-13(17)10-18/h1-8,13,18H,9-10,17H2.
What are the key properties of 2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol?
2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol has a molecular weight of 261.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 170892625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).