2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol

C13H21FN2O — CID 82937633

IUPAC2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol
SMILESCC(CN(C)C)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O/c1-10(9-16(2)3)15-8-13(17)11-4-6-12(14)7-5-11/h4-7,10,13,15,17H,8-9H2,1-3H3
InChIKeyYTMGMHUTNWYIEV-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.40
Rot. Bonds6

About 2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol

2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 82937633) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol
PubChem CID82937633
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol
SMILESCC(CN(C)C)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O/c1-10(9-16(2)3)15-8-13(17)11-4-6-12(14)7-5-11/h4-7,10,13,15,17H,8-9H2,1-3H3
InChIKeyYTMGMHUTNWYIEV-UHFFFAOYSA-N
XLogP1.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 42938180
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
(2R)-1-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 106932409
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol (CID 82937633) is 2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol is CC(CN(C)C)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is YTMGMHUTNWYIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(9-16(2)3)15-8-13(17)11-4-6-12(14)7-5-11/h4-7,10,13,15,17H,8-9H2,1-3H3.
What are the key properties of 2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol?
2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 240.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 82937633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).