2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol

C14H23FN2O2 — CID 62643635

IUPAC2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
SMILESCNC(CCN(CCO)CCO)c1ccc(F)cc1
InChIInChI=1S/C14H23FN2O2/c1-16-14(12-2-4-13(15)5-3-12)6-7-17(8-10-18)9-11-19/h2-5,14,16,18-19H,6-11H2,1H3
InChIKeyWXFPQMJPKXCXOL-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.76
Rot. Bonds9

About 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol

2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 62643635) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID62643635
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
SMILESCNC(CCN(CCO)CCO)c1ccc(F)cc1
InChIInChI=1S/C14H23FN2O2/c1-16-14(12-2-4-13(15)5-3-12)6-7-17(8-10-18)9-11-19/h2-5,14,16,18-19H,6-11H2,1H3
InChIKeyWXFPQMJPKXCXOL-UHFFFAOYSA-N
XLogP0.76
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol
CID 62644893
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 107486499
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965642
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105088240
2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214488
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol (CID 62643635) is 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol is CNC(CCN(CCO)CCO)c1ccc(F)cc1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is WXFPQMJPKXCXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-16-14(12-2-4-13(15)5-3-12)6-7-17(8-10-18)9-11-19/h2-5,14,16,18-19H,6-11H2,1H3.
What are the key properties of 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 270.35 g/mol, XLogP of 0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62643635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).