1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol

C14H22FNO2 — CID 60635358

IUPAC1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
SMILESCCC(CC)NCC(O)COc1ccccc1F
InChIInChI=1S/C14H22FNO2/c1-3-11(4-2)16-9-12(17)10-18-14-8-6-5-7-13(14)15/h5-8,11-12,16-17H,3-4,9-10H2,1-2H3
InChIKeyPJKIULKKTAOYOX-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.34
Rot. Bonds8

About 1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol

1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol (PubChem CID 60635358) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
PubChem CID60635358
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
SMILESCCC(CC)NCC(O)COc1ccccc1F
InChIInChI=1S/C14H22FNO2/c1-3-11(4-2)16-9-12(17)10-18-14-8-6-5-7-13(14)15/h5-8,11-12,16-17H,3-4,9-10H2,1-2H3
InChIKeyPJKIULKKTAOYOX-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one
CID 154145524
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910141
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 103461242
1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 62332238
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol (CID 60635358) is 1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol is CCC(CC)NCC(O)COc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol?
The InChIKey is PJKIULKKTAOYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-11(4-2)16-9-12(17)10-18-14-8-6-5-7-13(14)15/h5-8,11-12,16-17H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol?
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 60635358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).