1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol

C15H22FNO2 — CID 65213345

IUPAC1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol
SMILESC[C@@H](N)c1ccc(F)cc1OCC1(O)CCCCC1
InChIInChI=1S/C15H22FNO2/c1-11(17)13-6-5-12(16)9-14(13)19-10-15(18)7-3-2-4-8-15/h5-6,9,11,18H,2-4,7-8,10,17H2,1H3/t11-/m1/s1
InChIKeyIDCSKESPEXJEAJ-LLVKDONJSA-N
MW267.34 g/mol
LogP2.92
Rot. Bonds4

About 1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol

1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol (PubChem CID 65213345) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol
PubChem CID65213345
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol
SMILESC[C@@H](N)c1ccc(F)cc1OCC1(O)CCCCC1
InChIInChI=1S/C15H22FNO2/c1-11(17)13-6-5-12(16)9-14(13)19-10-15(18)7-3-2-4-8-15/h5-6,9,11,18H,2-4,7-8,10,17H2,1H3/t11-/m1/s1
InChIKeyIDCSKESPEXJEAJ-LLVKDONJSA-N
XLogP2.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol
CID 79004928
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-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol (CID 65213345) is 1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol is C[C@@H](N)c1ccc(F)cc1OCC1(O)CCCCC1.
What is the InChIKey of 1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol?
The InChIKey is IDCSKESPEXJEAJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(17)13-6-5-12(16)9-14(13)19-10-15(18)7-3-2-4-8-15/h5-6,9,11,18H,2-4,7-8,10,17H2,1H3/t11-/m1/s1.
What are the key properties of 1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol?
1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65213345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).