2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline

C13H20N2O2 — CID 117095489

IUPAC2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline
SMILESNCC1(COc2ccccc2N)CCOCC1
InChIInChI=1S/C13H20N2O2/c14-9-13(5-7-16-8-6-13)10-17-12-4-2-1-3-11(12)15/h1-4H,5-10,14-15H2
InChIKeyXGIGYNSYKSFOOQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.40
Rot. Bonds4

About 2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline

2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline (PubChem CID 117095489) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline.

Molecular Properties

Compound Name2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline
PubChem CID117095489
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline
SMILESNCC1(COc2ccccc2N)CCOCC1
InChIInChI=1S/C13H20N2O2/c14-9-13(5-7-16-8-6-13)10-17-12-4-2-1-3-11(12)15/h1-4H,5-10,14-15H2
InChIKeyXGIGYNSYKSFOOQ-UHFFFAOYSA-N
XLogP1.40
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline?
The IUPAC name of 2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline (CID 117095489) is 2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline.
What is the SMILES notation for 2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline?
The canonical SMILES for 2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline is NCC1(COc2ccccc2N)CCOCC1.
What is the InChIKey of 2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline?
The InChIKey is XGIGYNSYKSFOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-9-13(5-7-16-8-6-13)10-17-12-4-2-1-3-11(12)15/h1-4H,5-10,14-15H2.
What are the key properties of 2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline?
2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline has a molecular weight of 236.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline is sourced from PubChem (CID 117095489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).