(2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol

C15H24FNO3 — CID 51895854

IUPAC(2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNC[C@@H](O)COCCOc1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c1-12(2)9-17-10-14(18)11-19-7-8-20-15-5-3-13(16)4-6-15/h3-6,12,14,17-18H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyOLKQYJBCTFYMIM-CQSZACIVSA-N
MW285.36 g/mol
LogP1.83
Rot. Bonds10

About (2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol

(2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol (PubChem CID 51895854) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is (2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol
PubChem CID51895854
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name(2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNC[C@@H](O)COCCOc1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c1-12(2)9-17-10-14(18)11-19-7-8-20-15-5-3-13(16)4-6-15/h3-6,12,14,17-18H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyOLKQYJBCTFYMIM-CQSZACIVSA-N
XLogP1.83
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 3086127
1-[2-(4-bromophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol chloride
CID 53347434
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
1-[2-(4-ethylphenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 4106588
1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107664435
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of (2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol (CID 51895854) is (2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol is CC(C)CNC[C@@H](O)COCCOc1ccc(F)cc1.
What is the InChIKey of (2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is OLKQYJBCTFYMIM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-12(2)9-17-10-14(18)11-19-7-8-20-15-5-3-13(16)4-6-15/h3-6,12,14,17-18H,7-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol?
(2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 285.36 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 51895854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).