N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine

C19H26FN5O2 — CID 47030610

IUPACN-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
SMILESFc1cc(CNCC(C2CCOC2)N2CCOCC2)ccc1-n1cncn1
InChIInChI=1S/C19H26FN5O2/c20-17-9-15(1-2-18(17)25-14-22-13-23-25)10-21-11-19(16-3-6-27-12-16)24-4-7-26-8-5-24/h1-2,9,13-14,16,19,21H,3-8,10-12H2
InChIKeyUQIAUJKDLJEJEQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.23
Rot. Bonds7

About N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine

N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine (PubChem CID 47030610) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
PubChem CID47030610
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC NameN-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
SMILESFc1cc(CNCC(C2CCOC2)N2CCOCC2)ccc1-n1cncn1
InChIInChI=1S/C19H26FN5O2/c20-17-9-15(1-2-18(17)25-14-22-13-23-25)10-21-11-19(16-3-6-27-12-16)24-4-7-26-8-5-24/h1-2,9,13-14,16,19,21H,3-8,10-12H2
InChIKeyUQIAUJKDLJEJEQ-UHFFFAOYSA-N
XLogP1.23
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine (CID 47030610) is N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine is Fc1cc(CNCC(C2CCOC2)N2CCOCC2)ccc1-n1cncn1.
What is the InChIKey of N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine?
The InChIKey is UQIAUJKDLJEJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2/c20-17-9-15(1-2-18(17)25-14-22-13-23-25)10-21-11-19(16-3-6-27-12-16)24-4-7-26-8-5-24/h1-2,9,13-14,16,19,21H,3-8,10-12H2.
What are the key properties of N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine?
N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine has a molecular weight of 375.45 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 47030610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).