2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol

C17H21FN2O — CID 61050347

IUPAC2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
SMILESCN(C)c1ccc(C(C)(CO)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2O/c1-17(12-21,19-15-8-6-14(18)7-9-15)13-4-10-16(11-5-13)20(2)3/h4-11,19,21H,12H2,1-3H3
InChIKeyFRASFGDJMXYHEH-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.21
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol

2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol (PubChem CID 61050347) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
PubChem CID61050347
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
SMILESCN(C)c1ccc(C(C)(CO)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2O/c1-17(12-21,19-15-8-6-14(18)7-9-15)13-4-10-16(11-5-13)20(2)3/h4-11,19,21H,12H2,1-3H3
InChIKeyFRASFGDJMXYHEH-UHFFFAOYSA-N
XLogP3.21
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol
CID 61047505
2-(4-fluoroanilino)-2-(2-fluorophenyl)propan-1-ol
CID 61048560
2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol
CID 61048556
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol
CID 61049003
2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol
CID 113437691
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol
CID 65235212
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
CID 64991044
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164
2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol
CID 61049819

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol (CID 61050347) is 2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol is CN(C)c1ccc(C(C)(CO)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol?
The InChIKey is FRASFGDJMXYHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-17(12-21,19-15-8-6-14(18)7-9-15)13-4-10-16(11-5-13)20(2)3/h4-11,19,21H,12H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol?
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol has a molecular weight of 288.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol is sourced from PubChem (CID 61050347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).