2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol

C27H31FN2O3 — CID 25176242

IUPAC2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol
SMILESOC(CNCc1cccc(F)c1)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H31FN2O3/c28-25-3-1-2-21(18-25)19-29-20-27(31)24-6-4-22(5-7-24)23-8-10-26(11-9-23)33-17-14-30-12-15-32-16-13-30/h1-11,18,27,29,31H,12-17,19-20H2
InChIKeyGCDHBJVLSYAPMF-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.03
Rot. Bonds10

About 2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol

2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol (PubChem CID 25176242) has the molecular formula C27H31FN2O3 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol
PubChem CID25176242
Molecular FormulaC27H31FN2O3
Molecular Weight450.55 g/mol
Exact Mass450.23
IUPAC Name2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol
SMILESOC(CNCc1cccc(F)c1)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H31FN2O3/c28-25-3-1-2-21(18-25)19-29-20-27(31)24-6-4-22(5-7-24)23-8-10-26(11-9-23)33-17-14-30-12-15-32-16-13-30/h1-11,18,27,29,31H,12-17,19-20H2
InChIKeyGCDHBJVLSYAPMF-UHFFFAOYSA-N
XLogP4.03
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol (CID 25176242) is 2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol is OC(CNCc1cccc(F)c1)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol?
The InChIKey is GCDHBJVLSYAPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O3/c28-25-3-1-2-21(18-25)19-29-20-27(31)24-6-4-22(5-7-24)23-8-10-26(11-9-23)33-17-14-30-12-15-32-16-13-30/h1-11,18,27,29,31H,12-17,19-20H2.
What are the key properties of 2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol?
2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol has a molecular weight of 450.55 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol is sourced from PubChem (CID 25176242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).