(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol

C18H30FNO2 — CID 2314442

IUPAC(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESCCCCN(CCCC)C[C@@H](O)COCc1ccccc1F
InChIInChI=1S/C18H30FNO2/c1-3-5-11-20(12-6-4-2)13-17(21)15-22-14-16-9-7-8-10-18(16)19/h7-10,17,21H,3-6,11-15H2,1-2H3/t17-/m1/s1
InChIKeyAFAUZGYXRCPVAX-QGZVFWFLSA-N
MW311.44 g/mol
LogP3.61
Rot. Bonds12

About (2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol

(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol (PubChem CID 2314442) has the molecular formula C18H30FNO2 and a molecular weight of 311.44 g/mol. Its IUPAC name is (2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
PubChem CID2314442
Molecular FormulaC18H30FNO2
Molecular Weight311.44 g/mol
Exact Mass311.23
IUPAC Name(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESCCCCN(CCCC)C[C@@H](O)COCc1ccccc1F
InChIInChI=1S/C18H30FNO2/c1-3-5-11-20(12-6-4-2)13-17(21)15-22-14-16-9-7-8-10-18(16)19/h7-10,17,21H,3-6,11-15H2,1-2H3/t17-/m1/s1
InChIKeyAFAUZGYXRCPVAX-QGZVFWFLSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium
CID 2314449
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713876
2-[(2-fluorophenyl)methoxy]-1-phenylethanol
CID 63937773
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
(2S)-1-[(2-fluorophenyl)methoxy]-3-(N,2,4-trimethylanilino)propan-2-ol
CID 51964301
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62642322
2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide
CID 78831986
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 78805385
1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 110877328
(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 129420010

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol (CID 2314442) is (2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol is CCCCN(CCCC)C[C@@H](O)COCc1ccccc1F.
What is the InChIKey of (2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The InChIKey is AFAUZGYXRCPVAX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H30FNO2/c1-3-5-11-20(12-6-4-2)13-17(21)15-22-14-16-9-7-8-10-18(16)19/h7-10,17,21H,3-6,11-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol has a molecular weight of 311.44 g/mol, XLogP of 3.61, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 2314442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).