1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol

C11H17FN2O — CID 60897390

IUPAC1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
SMILESCN(C)CC(O)CNc1ccc(F)cc1
InChIInChI=1S/C11H17FN2O/c1-14(2)8-11(15)7-13-10-5-3-9(12)4-6-10/h3-6,11,13,15H,7-8H2,1-2H3
InChIKeyGHUXBJPENSIABM-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.16
Rot. Bonds5

About 1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol

1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol (PubChem CID 60897390) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
PubChem CID60897390
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
SMILESCN(C)CC(O)CNc1ccc(F)cc1
InChIInChI=1S/C11H17FN2O/c1-14(2)8-11(15)7-13-10-5-3-9(12)4-6-10/h3-6,11,13,15H,7-8H2,1-2H3
InChIKeyGHUXBJPENSIABM-UHFFFAOYSA-N
XLogP1.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol
CID 60900056
1-(dimethylamino)-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol
CID 60903400
1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol
CID 107619934
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol
CID 60900023
1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol
CID 60902054
1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644664
N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
CID 110281414
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoroanilino)ethanol
CID 60897392
1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60897805

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol (CID 60897390) is 1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol is CN(C)CC(O)CNc1ccc(F)cc1.
What is the InChIKey of 1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol?
The InChIKey is GHUXBJPENSIABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-14(2)8-11(15)7-13-10-5-3-9(12)4-6-10/h3-6,11,13,15H,7-8H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol?
1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol has a molecular weight of 212.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol is sourced from PubChem (CID 60897390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).