2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline

C16H24N2O2 — CID 62385049

IUPAC2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline
SMILESc1ccc(N2CCOCC2)c(NCC2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-2-4-16(18-7-11-20-12-8-18)15(3-1)17-13-14-5-9-19-10-6-14/h1-4,14,17H,5-13H2
InChIKeyFKDWXJCGZAURBC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.36
Rot. Bonds4

About 2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline

2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline (PubChem CID 62385049) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline
PubChem CID62385049
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline
SMILESc1ccc(N2CCOCC2)c(NCC2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-2-4-16(18-7-11-20-12-8-18)15(3-1)17-13-14-5-9-19-10-6-14/h1-4,14,17H,5-13H2
InChIKeyFKDWXJCGZAURBC-UHFFFAOYSA-N
XLogP2.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of 2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline (CID 62385049) is 2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for 2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for 2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline is c1ccc(N2CCOCC2)c(NCC2CCOCC2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline?
The InChIKey is FKDWXJCGZAURBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-4-16(18-7-11-20-12-8-18)15(3-1)17-13-14-5-9-19-10-6-14/h1-4,14,17H,5-13H2.
What are the key properties of 2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline?
2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline has a molecular weight of 276.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 62385049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).