4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

C15H21F2NO2 — CID 106133375

IUPAC4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H21F2NO2/c16-11-3-6-13(14(17)7-11)15(20)9-18-8-10-1-4-12(19)5-2-10/h3,6-7,10,12,15,18-20H,1-2,4-5,8-9H2
InChIKeyNFMVNWLHTOMENN-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.14
Rot. Bonds5

About 4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106133375) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
PubChem CID106133375
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H21F2NO2/c16-11-3-6-13(14(17)7-11)15(20)9-18-8-10-1-4-12(19)5-2-10/h3,6-7,10,12,15,18-20H,1-2,4-5,8-9H2
InChIKeyNFMVNWLHTOMENN-UHFFFAOYSA-N
XLogP2.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133374
1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 54941852
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
CID 115694377
3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132403
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108673
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol
CID 60976055

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (CID 106133375) is 4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is OC1CCC(CNCC(O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is NFMVNWLHTOMENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c16-11-3-6-13(14(17)7-11)15(20)9-18-8-10-1-4-12(19)5-2-10/h3,6-7,10,12,15,18-20H,1-2,4-5,8-9H2.
What are the key properties of 4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 285.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).