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1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol

C17H19F2NO2 — CID 110906225

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNCc2cc(F)ccc2F)c1
InChIInChI=1S/C17H19F2NO2/c1-12-3-2-4-16(7-12)22-11-15(21)10-20-9-13-8-14(18)5-6-17(13)19/h2-8,15,20-21H,9-11H2,1H3
InChIKeyPMYLXVHTWYSPFN-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.80
Rot. Bonds7

About 1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol

1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 110906225) has the molecular formula C17H19F2NO2 and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID110906225
Molecular FormulaC17H19F2NO2
Molecular Weight307.34 g/mol
Exact Mass307.14
IUPAC Name1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNCc2cc(F)ccc2F)c1
InChIInChI=1S/C17H19F2NO2/c1-12-3-2-4-16(7-12)22-11-15(21)10-20-9-13-8-14(18)5-6-17(13)19/h2-8,15,20-21H,9-11H2,1H3
InChIKeyPMYLXVHTWYSPFN-UHFFFAOYSA-N
XLogP2.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol (CID 110906225) is 1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNCc2cc(F)ccc2F)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is PMYLXVHTWYSPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2/c1-12-3-2-4-16(7-12)22-11-15(21)10-20-9-13-8-14(18)5-6-17(13)19/h2-8,15,20-21H,9-11H2,1H3.
What are the key properties of 1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol?
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 307.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 110906225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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