2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol

C23H24FNO3 — CID 541841

IUPAC2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol
SMILESCC(N)C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F
InChIInChI=1S/C23H24FNO3/c1-16(25)23(26)19-12-21(27-14-17-8-4-2-5-9-17)22(13-20(19)24)28-15-18-10-6-3-7-11-18/h2-13,16,23,26H,14-15,25H2,1H3
InChIKeyOINMPXYSVIEUSL-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.36
Rot. Bonds8

About 2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol

2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol (PubChem CID 541841) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol
PubChem CID541841
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol
SMILESCC(N)C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F
InChIInChI=1S/C23H24FNO3/c1-16(25)23(26)19-12-21(27-14-17-8-4-2-5-9-17)22(13-20(19)24)28-15-18-10-6-3-7-11-18/h2-13,16,23,26H,14-15,25H2,1H3
InChIKeyOINMPXYSVIEUSL-UHFFFAOYSA-N
XLogP4.36
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2S)-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]-1-hydroxy-3-methoxy-3-oxopropan-2-yl]azanium chloride
CID 11134345
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 139820128
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
(1S,2R)-1-amino-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-2-ol;hydrochloride
CID 171269893
(3S)-3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 171230054

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol (CID 541841) is 2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol is CC(N)C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F.
What is the InChIKey of 2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol?
The InChIKey is OINMPXYSVIEUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c1-16(25)23(26)19-12-21(27-14-17-8-4-2-5-9-17)22(13-20(19)24)28-15-18-10-6-3-7-11-18/h2-13,16,23,26H,14-15,25H2,1H3.
What are the key properties of 2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol?
2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol has a molecular weight of 381.45 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 541841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).