2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol

C14H23FN2O — CID 164637360

IUPAC2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol
SMILESC[C@@H](CN(C)CCO)NCCc1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-12(11-17(2)8-9-18)16-7-6-13-4-3-5-14(15)10-13/h3-5,10,12,16,18H,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyPDPACOGNQQEMLF-LBPRGKRZSA-N
MW254.35 g/mol
LogP1.27
Rot. Bonds8

About 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol

2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol (PubChem CID 164637360) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol
PubChem CID164637360
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol
SMILESC[C@@H](CN(C)CCO)NCCc1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-12(11-17(2)8-9-18)16-7-6-13-4-3-5-14(15)10-13/h3-5,10,12,16,18H,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyPDPACOGNQQEMLF-LBPRGKRZSA-N
XLogP1.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol?
The IUPAC name of 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol (CID 164637360) is 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol?
The canonical SMILES for 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol is C[C@@H](CN(C)CCO)NCCc1cccc(F)c1.
What is the InChIKey of 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol?
The InChIKey is PDPACOGNQQEMLF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-12(11-17(2)8-9-18)16-7-6-13-4-3-5-14(15)10-13/h3-5,10,12,16,18H,6-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol?
2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol has a molecular weight of 254.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[2-(3-fluorophenyl)ethylamino]propyl]-methylamino]ethanol is sourced from PubChem (CID 164637360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).