2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol

C15H22FNO2 — CID 114872852

IUPAC2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol
SMILESCCC(CO)(NCC1CCCO1)c1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-2-15(11-18,12-5-3-6-13(16)9-12)17-10-14-7-4-8-19-14/h3,5-6,9,14,17-18H,2,4,7-8,10-11H2,1H3
InChIKeyZIBVKUVOAOWXCH-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.19
Rot. Bonds6

About 2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol

2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol (PubChem CID 114872852) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol
PubChem CID114872852
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol
SMILESCCC(CO)(NCC1CCCO1)c1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-2-15(11-18,12-5-3-6-13(16)9-12)17-10-14-7-4-8-19-14/h3,5-6,9,14,17-18H,2,4,7-8,10-11H2,1H3
InChIKeyZIBVKUVOAOWXCH-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol
CID 79450596
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
CID 114872869
2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050166
methyl 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)butanoate
CID 60993623
2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050759
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111136643
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
CID 66058100
2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 114872860
2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol
CID 61049380
1-[(3-fluorophenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136641

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol?
The IUPAC name of 2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol (CID 114872852) is 2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol is CCC(CO)(NCC1CCCO1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol?
The InChIKey is ZIBVKUVOAOWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-15(11-18,12-5-3-6-13(16)9-12)17-10-14-7-4-8-19-14/h3,5-6,9,14,17-18H,2,4,7-8,10-11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol?
2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 114872852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).