1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine

C13H20N2 — CID 117292971

IUPAC1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(C2CN(C)C2)c1
InChIInChI=1S/C13H20N2/c1-10(14)6-11-4-3-5-12(7-11)13-8-15(2)9-13/h3-5,7,10,13H,6,8-9,14H2,1-2H3
InChIKeyGLLBQMAVEKBJMZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.61
Rot. Bonds3

About 1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine

1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine (PubChem CID 117292971) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine
PubChem CID117292971
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(C2CN(C)C2)c1
InChIInChI=1S/C13H20N2/c1-10(14)6-11-4-3-5-12(7-11)13-8-15(2)9-13/h3-5,7,10,13H,6,8-9,14H2,1-2H3
InChIKeyGLLBQMAVEKBJMZ-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine (CID 117292971) is 1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine is CC(N)Cc1cccc(C2CN(C)C2)c1.
What is the InChIKey of 1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine?
The InChIKey is GLLBQMAVEKBJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(14)6-11-4-3-5-12(7-11)13-8-15(2)9-13/h3-5,7,10,13H,6,8-9,14H2,1-2H3.
What are the key properties of 1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine?
1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine has a molecular weight of 204.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117292971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).