N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine

C16H26FN3O — CID 105385021

IUPACN-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnc(N2CCOC(C)(C)C2)c1F
InChIInChI=1S/C16H26FN3O/c1-15(2,3)19-10-12-6-7-18-14(13(12)17)20-8-9-21-16(4,5)11-20/h6-7,19H,8-11H2,1-5H3
InChIKeyKNPBADKRYIUBIS-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.72
Rot. Bonds3

About N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 105385021) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID105385021
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnc(N2CCOC(C)(C)C2)c1F
InChIInChI=1S/C16H26FN3O/c1-15(2,3)19-10-12-6-7-18-14(13(12)17)20-8-9-21-16(4,5)11-20/h6-7,19H,8-11H2,1-5H3
InChIKeyKNPBADKRYIUBIS-UHFFFAOYSA-N
XLogP2.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine 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 N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 105385021) is N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccnc(N2CCOC(C)(C)C2)c1F.
What is the InChIKey of N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is KNPBADKRYIUBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-15(2,3)19-10-12-6-7-18-14(13(12)17)20-8-9-21-16(4,5)11-20/h6-7,19H,8-11H2,1-5H3.
What are the key properties of N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105385021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).