1-(4-propan-2-ylphenyl)azetidin-3-amine

C12H18N2 — CID 117002806

IUPAC1-(4-propan-2-ylphenyl)azetidin-3-amine
SMILESCC(C)c1ccc(N2CC(N)C2)cc1
InChIInChI=1S/C12H18N2/c1-9(2)10-3-5-12(6-4-10)14-7-11(13)8-14/h3-6,9,11H,7-8,13H2,1-2H3
InChIKeyWKUNOPVYZOZQOC-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.96
Rot. Bonds2

About 1-(4-propan-2-ylphenyl)azetidin-3-amine

1-(4-propan-2-ylphenyl)azetidin-3-amine (PubChem CID 117002806) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)azetidin-3-amine
PubChem CID117002806
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(4-propan-2-ylphenyl)azetidin-3-amine
SMILESCC(C)c1ccc(N2CC(N)C2)cc1
InChIInChI=1S/C12H18N2/c1-9(2)10-3-5-12(6-4-10)14-7-11(13)8-14/h3-6,9,11H,7-8,13H2,1-2H3
InChIKeyWKUNOPVYZOZQOC-UHFFFAOYSA-N
XLogP1.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)azetidin-3-amine?
The IUPAC name of 1-(4-propan-2-ylphenyl)azetidin-3-amine (CID 117002806) is 1-(4-propan-2-ylphenyl)azetidin-3-amine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)azetidin-3-amine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)azetidin-3-amine is CC(C)c1ccc(N2CC(N)C2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)azetidin-3-amine?
The InChIKey is WKUNOPVYZOZQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)10-3-5-12(6-4-10)14-7-11(13)8-14/h3-6,9,11H,7-8,13H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)azetidin-3-amine?
1-(4-propan-2-ylphenyl)azetidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)azetidin-3-amine is sourced from PubChem (CID 117002806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).