1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol

C14H20FNO2 — CID 79004928

IUPAC1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol
SMILESC[C@H](N)c1ccc(F)cc1OCC1(O)CCCC1
InChIInChI=1S/C14H20FNO2/c1-10(16)12-5-4-11(15)8-13(12)18-9-14(17)6-2-3-7-14/h4-5,8,10,17H,2-3,6-7,9,16H2,1H3/t10-/m0/s1
InChIKeyUDMAIKFKGXCJKA-JTQLQIEISA-N
MW253.32 g/mol
LogP2.53
Rot. Bonds4

About 1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol

1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol (PubChem CID 79004928) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol
PubChem CID79004928
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol
SMILESC[C@H](N)c1ccc(F)cc1OCC1(O)CCCC1
InChIInChI=1S/C14H20FNO2/c1-10(16)12-5-4-11(15)8-13(12)18-9-14(17)6-2-3-7-14/h4-5,8,10,17H,2-3,6-7,9,16H2,1H3/t10-/m0/s1
InChIKeyUDMAIKFKGXCJKA-JTQLQIEISA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol
CID 65213345
1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65214061
1-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]cyclopentan-1-ol
CID 79004921
1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 79004887
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
CID 63368001
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
CID 78935976
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
1-[[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 102949274
3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
CID 63368106
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
CID 78935687

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol (CID 79004928) is 1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol is C[C@H](N)c1ccc(F)cc1OCC1(O)CCCC1.
What is the InChIKey of 1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol?
The InChIKey is UDMAIKFKGXCJKA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(16)12-5-4-11(15)8-13(12)18-9-14(17)6-2-3-7-14/h4-5,8,10,17H,2-3,6-7,9,16H2,1H3/t10-/m0/s1.
What are the key properties of 1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol?
1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 79004928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).