N-(2-tert-butylphenyl)azetidin-3-amine

C13H20N2 — CID 59577018

IUPACN-(2-tert-butylphenyl)azetidin-3-amine
SMILESCC(C)(C)c1ccccc1NC1CNC1
InChIInChI=1S/C13H20N2/c1-13(2,3)11-6-4-5-7-12(11)15-10-8-14-9-10/h4-7,10,14-15H,8-9H2,1-3H3
InChIKeyAKKPCRDCOBHQSV-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.37
Rot. Bonds2

About N-(2-tert-butylphenyl)azetidin-3-amine

N-(2-tert-butylphenyl)azetidin-3-amine (PubChem CID 59577018) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)azetidin-3-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)azetidin-3-amine
PubChem CID59577018
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(2-tert-butylphenyl)azetidin-3-amine
SMILESCC(C)(C)c1ccccc1NC1CNC1
InChIInChI=1S/C13H20N2/c1-13(2,3)11-6-4-5-7-12(11)15-10-8-14-9-10/h4-7,10,14-15H,8-9H2,1-3H3
InChIKeyAKKPCRDCOBHQSV-UHFFFAOYSA-N
XLogP2.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)azetidin-3-amine?
The IUPAC name of N-(2-tert-butylphenyl)azetidin-3-amine (CID 59577018) is N-(2-tert-butylphenyl)azetidin-3-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)azetidin-3-amine?
The canonical SMILES for N-(2-tert-butylphenyl)azetidin-3-amine is CC(C)(C)c1ccccc1NC1CNC1.
What is the InChIKey of N-(2-tert-butylphenyl)azetidin-3-amine?
The InChIKey is AKKPCRDCOBHQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2,3)11-6-4-5-7-12(11)15-10-8-14-9-10/h4-7,10,14-15H,8-9H2,1-3H3.
What are the key properties of N-(2-tert-butylphenyl)azetidin-3-amine?
N-(2-tert-butylphenyl)azetidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)azetidin-3-amine is sourced from PubChem (CID 59577018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).