1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol

C13H20FNO3 — CID 63988415

IUPAC1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)COc1cccc(F)c1CN
InChIInChI=1S/C13H20FNO3/c1-9(2)17-7-10(16)8-18-13-5-3-4-12(14)11(13)6-15/h3-5,9-10,16H,6-8,15H2,1-2H3
InChIKeyNTUVJLOCECJPRV-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.45
Rot. Bonds7

About 1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol

1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol (PubChem CID 63988415) has the molecular formula C13H20FNO3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol
PubChem CID63988415
Molecular FormulaC13H20FNO3
Molecular Weight257.31 g/mol
Exact Mass257.14
IUPAC Name1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)COc1cccc(F)c1CN
InChIInChI=1S/C13H20FNO3/c1-9(2)17-7-10(16)8-18-13-5-3-4-12(14)11(13)6-15/h3-5,9-10,16H,6-8,15H2,1-2H3
InChIKeyNTUVJLOCECJPRV-UHFFFAOYSA-N
XLogP1.45
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 124625807
1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 71943765
(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 97085392
4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
CID 107014327
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
1-[2-(aminomethyl)-6-chlorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 112607686
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide
CID 43609214
3-fluoro-4-(2-hydroxy-3-propan-2-yloxypropoxy)benzonitrile
CID 103849787
1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol
CID 63987369
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol (CID 63988415) is 1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)COc1cccc(F)c1CN.
What is the InChIKey of 1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol?
The InChIKey is NTUVJLOCECJPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-9(2)17-7-10(16)8-18-13-5-3-4-12(14)11(13)6-15/h3-5,9-10,16H,6-8,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol?
1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol has a molecular weight of 257.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 63988415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).