(2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol

C19H23F2NO2 — CID 129408054

IUPAC(2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol
SMILESOCCC[C@@H](CO)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C19H23F2NO2/c20-17-7-3-15(4-8-17)12-22(19(14-24)2-1-11-23)13-16-5-9-18(21)10-6-16/h3-10,19,23-24H,1-2,11-14H2/t19-/m0/s1
InChIKeyMAJDARGBTPUXRV-IBGZPJMESA-N
MW335.39 g/mol
LogP3.10
Rot. Bonds9

About (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol

(2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol (PubChem CID 129408054) has the molecular formula C19H23F2NO2 and a molecular weight of 335.39 g/mol. Its IUPAC name is (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol.

Molecular Properties

Compound Name(2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol
PubChem CID129408054
Molecular FormulaC19H23F2NO2
Molecular Weight335.39 g/mol
Exact Mass335.17
IUPAC Name(2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol
SMILESOCCC[C@@H](CO)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C19H23F2NO2/c20-17-7-3-15(4-8-17)12-22(19(14-24)2-1-11-23)13-16-5-9-18(21)10-6-16/h3-10,19,23-24H,1-2,11-14H2/t19-/m0/s1
InChIKeyMAJDARGBTPUXRV-IBGZPJMESA-N
XLogP3.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol 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

(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
(2S)-2-[(4-fluorophenyl)methyl]hexane-1,6-diol
CID 172914267
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
CID 66639453
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide
CID 46994143
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine
CID 67734751
(2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol
CID 101494276
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
N-[(4-fluorophenyl)methyl]-N-silylpentan-3-amine
CID 174248167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol?
The IUPAC name of (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol (CID 129408054) is (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol.
What is the SMILES notation for (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol?
The canonical SMILES for (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol is OCCC[C@@H](CO)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol?
The InChIKey is MAJDARGBTPUXRV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23F2NO2/c20-17-7-3-15(4-8-17)12-22(19(14-24)2-1-11-23)13-16-5-9-18(21)10-6-16/h3-10,19,23-24H,1-2,11-14H2/t19-/m0/s1.
What are the key properties of (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol?
(2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol has a molecular weight of 335.39 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis[(4-fluorophenyl)methyl]amino]pentane-1,5-diol is sourced from PubChem (CID 129408054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).