[3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone

C19H23N3O2 — CID 167914068

IUPAC[3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone
SMILESCOC1(CN)CN(C(=O)c2ccccc2NCc2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c1-24-19(12-20)13-22(14-19)18(23)16-9-5-6-10-17(16)21-11-15-7-3-2-4-8-15/h2-10,21H,11-14,20H2,1H3
InChIKeyPDTAGVDWNYWJMY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.10
Rot. Bonds6

About [3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone

[3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone (PubChem CID 167914068) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone
PubChem CID167914068
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone
SMILESCOC1(CN)CN(C(=O)c2ccccc2NCc2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c1-24-19(12-20)13-22(14-19)18(23)16-9-5-6-10-17(16)21-11-15-7-3-2-4-8-15/h2-10,21H,11-14,20H2,1H3
InChIKeyPDTAGVDWNYWJMY-UHFFFAOYSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone (CID 167914068) is [3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone is COC1(CN)CN(C(=O)c2ccccc2NCc2ccccc2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone?
The InChIKey is PDTAGVDWNYWJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-19(12-20)13-22(14-19)18(23)16-9-5-6-10-17(16)21-11-15-7-3-2-4-8-15/h2-10,21H,11-14,20H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone?
[3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methoxyazetidin-1-yl]-[2-(benzylamino)phenyl]methanone is sourced from PubChem (CID 167914068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).