azetidin-3-yl-(4-phenoxyphenyl)methanamine

C16H18N2O — CID 116935313

IUPACazetidin-3-yl-(4-phenoxyphenyl)methanamine
SMILESNC(c1ccc(Oc2ccccc2)cc1)C1CNC1
InChIInChI=1S/C16H18N2O/c17-16(13-10-18-11-13)12-6-8-15(9-7-12)19-14-4-2-1-3-5-14/h1-9,13,16,18H,10-11,17H2
InChIKeyJHLSTKVGMYYRIU-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.70
Rot. Bonds4

About azetidin-3-yl-(4-phenoxyphenyl)methanamine

azetidin-3-yl-(4-phenoxyphenyl)methanamine (PubChem CID 116935313) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is azetidin-3-yl-(4-phenoxyphenyl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(4-phenoxyphenyl)methanamine
PubChem CID116935313
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Nameazetidin-3-yl-(4-phenoxyphenyl)methanamine
SMILESNC(c1ccc(Oc2ccccc2)cc1)C1CNC1
InChIInChI=1S/C16H18N2O/c17-16(13-10-18-11-13)12-6-8-15(9-7-12)19-14-4-2-1-3-5-14/h1-9,13,16,18H,10-11,17H2
InChIKeyJHLSTKVGMYYRIU-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(4-phenoxyphenyl)methanamine?
The IUPAC name of azetidin-3-yl-(4-phenoxyphenyl)methanamine (CID 116935313) is azetidin-3-yl-(4-phenoxyphenyl)methanamine.
What is the SMILES notation for azetidin-3-yl-(4-phenoxyphenyl)methanamine?
The canonical SMILES for azetidin-3-yl-(4-phenoxyphenyl)methanamine is NC(c1ccc(Oc2ccccc2)cc1)C1CNC1.
What is the InChIKey of azetidin-3-yl-(4-phenoxyphenyl)methanamine?
The InChIKey is JHLSTKVGMYYRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-16(13-10-18-11-13)12-6-8-15(9-7-12)19-14-4-2-1-3-5-14/h1-9,13,16,18H,10-11,17H2.
What are the key properties of azetidin-3-yl-(4-phenoxyphenyl)methanamine?
azetidin-3-yl-(4-phenoxyphenyl)methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(4-phenoxyphenyl)methanamine is sourced from PubChem (CID 116935313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).