3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride

C12H19ClN2 — CID 166607903

IUPAC3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride
SMILESCC(C)c1ccc(C2(N)CNC2)cc1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-9(2)10-3-5-11(6-4-10)12(13)7-14-8-12;/h3-6,9,14H,7-8,13H2,1-2H3;1H
InChIKeyQJGZTBTXDGCQSX-UHFFFAOYSA-N
MW226.75 g/mol
LogP1.99
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride

3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride (PubChem CID 166607903) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride
PubChem CID166607903
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride
SMILESCC(C)c1ccc(C2(N)CNC2)cc1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-9(2)10-3-5-11(6-4-10)12(13)7-14-8-12;/h3-6,9,14H,7-8,13H2,1-2H3;1H
InChIKeyQJGZTBTXDGCQSX-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride?
The IUPAC name of 3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride (CID 166607903) is 3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride?
The canonical SMILES for 3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride is CC(C)c1ccc(C2(N)CNC2)cc1.Cl.
What is the InChIKey of 3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride?
The InChIKey is QJGZTBTXDGCQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.ClH/c1-9(2)10-3-5-11(6-4-10)12(13)7-14-8-12;/h3-6,9,14H,7-8,13H2,1-2H3;1H.
What are the key properties of 3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride?
3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride has a molecular weight of 226.75 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)azetidin-3-amine;hydrochloride is sourced from PubChem (CID 166607903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).