2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol

C17H29FN2O — CID 62644893

IUPAC2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CCC(NC)c1ccc(F)cc1
InChIInChI=1S/C17H29FN2O/c1-4-16(5-2)20(12-13-21)11-10-17(19-3)14-6-8-15(18)9-7-14/h6-9,16-17,19,21H,4-5,10-13H2,1-3H3
InChIKeyGYIFSUOIEMGNRN-UHFFFAOYSA-N
MW296.43 g/mol
LogP2.96
Rot. Bonds10

About 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol

2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol (PubChem CID 62644893) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol
PubChem CID62644893
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC Name2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CCC(NC)c1ccc(F)cc1
InChIInChI=1S/C17H29FN2O/c1-4-16(5-2)20(12-13-21)11-10-17(19-3)14-6-8-15(18)9-7-14/h6-9,16-17,19,21H,4-5,10-13H2,1-3H3
InChIKeyGYIFSUOIEMGNRN-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
1-(4-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493912
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965642
2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol (CID 62644893) is 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)CCC(NC)c1ccc(F)cc1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol?
The InChIKey is GYIFSUOIEMGNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2O/c1-4-16(5-2)20(12-13-21)11-10-17(19-3)14-6-8-15(18)9-7-14/h6-9,16-17,19,21H,4-5,10-13H2,1-3H3.
What are the key properties of 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol?
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol has a molecular weight of 296.43 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62644893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).