1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol

C14H20FNO2 — CID 112680362

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1ccccc1F)C1(CN)CCOC1
InChIInChI=1S/C14H20FNO2/c1-2-14(17,11-5-3-4-6-12(11)15)13(9-16)7-8-18-10-13/h3-6,17H,2,7-10,16H2,1H3
InChIKeyXNPXJHFYLJKFSJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.79
Rot. Bonds4

About 1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol

1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol (PubChem CID 112680362) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol
PubChem CID112680362
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1ccccc1F)C1(CN)CCOC1
InChIInChI=1S/C14H20FNO2/c1-2-14(17,11-5-3-4-6-12(11)15)13(9-16)7-8-18-10-13/h3-6,17H,2,7-10,16H2,1H3
InChIKeyXNPXJHFYLJKFSJ-UHFFFAOYSA-N
XLogP1.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol
CID 113246827
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol
CID 112680353
1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112586826
1-[3-(aminomethyl)oxolan-3-yl]-1-(2-bromophenyl)ethanol
CID 79126820
1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol
CID 79128669
1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
CID 79134639
1-[1-(2-fluorophenyl)-1-hydroxypropyl]cycloheptane-1-carbonitrile
CID 115997291
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
CID 63335335
(3-tert-butyloxolan-3-yl)methanamine
CID 83815554
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol
CID 114835091
1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
CID 79135824

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol (CID 112680362) is 1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol is CCC(O)(c1ccccc1F)C1(CN)CCOC1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol?
The InChIKey is XNPXJHFYLJKFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-14(17,11-5-3-4-6-12(11)15)13(9-16)7-8-18-10-13/h3-6,17H,2,7-10,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 112680362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).