3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol

C20H25ClFNO2 — CID 54090367

IUPAC3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol
SMILESOCCCN(CCCc1ccc(Cl)cc1)CCOc1ccccc1F
InChIInChI=1S/C20H25ClFNO2/c21-18-10-8-17(9-11-18)5-3-12-23(13-4-15-24)14-16-25-20-7-2-1-6-19(20)22/h1-2,6-11,24H,3-5,12-16H2
InChIKeyMTKUFNOFLUNSAZ-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.18
Rot. Bonds11

About 3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol

3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol (PubChem CID 54090367) has the molecular formula C20H25ClFNO2 and a molecular weight of 365.88 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol
PubChem CID54090367
Molecular FormulaC20H25ClFNO2
Molecular Weight365.88 g/mol
Exact Mass365.16
IUPAC Name3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol
SMILESOCCCN(CCCc1ccc(Cl)cc1)CCOc1ccccc1F
InChIInChI=1S/C20H25ClFNO2/c21-18-10-8-17(9-11-18)5-3-12-23(13-4-15-24)14-16-25-20-7-2-1-6-19(20)22/h1-2,6-11,24H,3-5,12-16H2
InChIKeyMTKUFNOFLUNSAZ-UHFFFAOYSA-N
XLogP4.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol (CID 54090367) is 3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol is OCCCN(CCCc1ccc(Cl)cc1)CCOc1ccccc1F.
What is the InChIKey of 3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol?
The InChIKey is MTKUFNOFLUNSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFNO2/c21-18-10-8-17(9-11-18)5-3-12-23(13-4-15-24)14-16-25-20-7-2-1-6-19(20)22/h1-2,6-11,24H,3-5,12-16H2.
What are the key properties of 3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol?
3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol has a molecular weight of 365.88 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol is sourced from PubChem (CID 54090367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).