3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol

C14H21F2NO2 — CID 65111103

IUPAC3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO2/c1-3-14(19,4-2)9-17-8-13(18)11-6-5-10(15)7-12(11)16/h5-7,13,17-19H,3-4,8-9H2,1-2H3
InChIKeyHOMJWAVROCFRIM-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.14
Rot. Bonds7

About 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol

3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol (PubChem CID 65111103) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
PubChem CID65111103
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO2/c1-3-14(19,4-2)9-17-8-13(18)11-6-5-10(15)7-12(11)16/h5-7,13,17-19H,3-4,8-9H2,1-2H3
InChIKeyHOMJWAVROCFRIM-UHFFFAOYSA-N
XLogP2.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60904159
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
CID 115694377
3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol
CID 65111204
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-1-methoxybutan-2-ol
CID 106246645
1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol
CID 65243575

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol (CID 65111103) is 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol?
The InChIKey is HOMJWAVROCFRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-3-14(19,4-2)9-17-8-13(18)11-6-5-10(15)7-12(11)16/h5-7,13,17-19H,3-4,8-9H2,1-2H3.
What are the key properties of 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol?
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol has a molecular weight of 273.32 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 65111103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).