2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine

C12H18N2 — CID 115059333

IUPAC2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine
SMILESCc1ccc(C2(CCN)CCN2)cc1
InChIInChI=1S/C12H18N2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14-12/h2-5,14H,6-9,13H2,1H3
InChIKeyPPBIYDDVFJINBO-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.53
Rot. Bonds3

About 2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine

2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine (PubChem CID 115059333) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine
PubChem CID115059333
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine
SMILESCc1ccc(C2(CCN)CCN2)cc1
InChIInChI=1S/C12H18N2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14-12/h2-5,14H,6-9,13H2,1H3
InChIKeyPPBIYDDVFJINBO-UHFFFAOYSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine?
The IUPAC name of 2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine (CID 115059333) is 2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine?
The canonical SMILES for 2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine is Cc1ccc(C2(CCN)CCN2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine?
The InChIKey is PPBIYDDVFJINBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14-12/h2-5,14H,6-9,13H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine?
2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine is sourced from PubChem (CID 115059333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).