3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine

C11H15BrN2 — CID 166608633

IUPAC3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine
SMILESCc1c(Br)ccc(C2(N)CNC2)c1C
InChIInChI=1S/C11H15BrN2/c1-7-8(2)10(12)4-3-9(7)11(13)5-14-6-11/h3-4,14H,5-6,13H2,1-2H3
InChIKeyMGALTWOIDQOCDT-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.82
Rot. Bonds1

About 3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine

3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine (PubChem CID 166608633) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine.

Molecular Properties

Compound Name3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine
PubChem CID166608633
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine
SMILESCc1c(Br)ccc(C2(N)CNC2)c1C
InChIInChI=1S/C11H15BrN2/c1-7-8(2)10(12)4-3-9(7)11(13)5-14-6-11/h3-4,14H,5-6,13H2,1-2H3
InChIKeyMGALTWOIDQOCDT-UHFFFAOYSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine?
The IUPAC name of 3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine (CID 166608633) is 3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine.
What is the SMILES notation for 3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine?
The canonical SMILES for 3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine is Cc1c(Br)ccc(C2(N)CNC2)c1C.
What is the InChIKey of 3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine?
The InChIKey is MGALTWOIDQOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-7-8(2)10(12)4-3-9(7)11(13)5-14-6-11/h3-4,14H,5-6,13H2,1-2H3.
What are the key properties of 3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine?
3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine has a molecular weight of 255.16 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine is sourced from PubChem (CID 166608633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).