1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol

C14H22FNO2 — CID 111107929

IUPAC1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
SMILESCC(O)CN(CC(O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H22FNO2/c1-10(2)16(8-11(3)17)9-14(18)12-4-6-13(15)7-5-12/h4-7,10-11,14,17-18H,8-9H2,1-3H3
InChIKeyNPFAQIFDUVCFCI-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.95
Rot. Bonds6

About 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol

1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol (PubChem CID 111107929) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
PubChem CID111107929
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
SMILESCC(O)CN(CC(O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H22FNO2/c1-10(2)16(8-11(3)17)9-14(18)12-4-6-13(15)7-5-12/h4-7,10-11,14,17-18H,8-9H2,1-3H3
InChIKeyNPFAQIFDUVCFCI-UHFFFAOYSA-N
XLogP1.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111108072
1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630487
N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide
CID 5180780
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
(2S)-1-[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-methoxypropan-2-ol
CID 100857627
2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol
CID 82937633
(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840896
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
CID 111462207
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 109411520

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol (CID 111107929) is 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol is CC(O)CN(CC(O)c1ccc(F)cc1)C(C)C.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol?
The InChIKey is NPFAQIFDUVCFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-10(2)16(8-11(3)17)9-14(18)12-4-6-13(15)7-5-12/h4-7,10-11,14,17-18H,8-9H2,1-3H3.
What are the key properties of 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol?
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 111107929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).