4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol

C14H21F2NO2 — CID 110011197

IUPAC4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol
SMILESCC(CCCO)NC(C)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO2/c1-9(4-3-7-18)17-10(2)14(19)11-5-6-12(15)13(16)8-11/h5-6,8-10,14,17-19H,3-4,7H2,1-2H3
InChIKeyLNQOZFOBYLGODR-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.14
Rot. Bonds7

About 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol

4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol (PubChem CID 110011197) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol
PubChem CID110011197
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol
SMILESCC(CCCO)NC(C)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO2/c1-9(4-3-7-18)17-10(2)14(19)11-5-6-12(15)13(16)8-11/h5-6,8-10,14,17-19H,3-4,7H2,1-2H3
InChIKeyLNQOZFOBYLGODR-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

Analyze 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol with MolForge

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Related Compounds

3-[1-(3,4-difluorophenyl)ethylamino]butan-1-ol
CID 79145040
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 103717148
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
(2S)-2-[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 99777285
1-(3,4-difluorophenyl)-2-(heptan-2-ylamino)ethanol
CID 60980975
2-chloro-1-(3,4-difluorophenyl)propan-1-ol
CID 116863660
5-amino-5-(3,4-difluorophenyl)pentan-1-ol
CID 82367220
1-(3,4-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889799
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol
CID 110011198
(1S,2R)-2-[[4-(diethylamino)phenyl]methylamino]-1-(3,4-difluorophenyl)propan-1-ol
CID 124683676

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol?
The IUPAC name of 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol (CID 110011197) is 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol?
The canonical SMILES for 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol is CC(CCCO)NC(C)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol?
The InChIKey is LNQOZFOBYLGODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-9(4-3-7-18)17-10(2)14(19)11-5-6-12(15)13(16)8-11/h5-6,8-10,14,17-19H,3-4,7H2,1-2H3.
What are the key properties of 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol?
4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-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 4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 110011197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).