N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine

C11H15BrN2 — CID 62784806

IUPACN-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1ccc(Br)cc1)C1CNC1
InChIInChI=1S/C11H15BrN2/c1-14(11-6-13-7-11)8-9-2-4-10(12)5-3-9/h2-5,11,13H,6-8H2,1H3
InChIKeyBQJANHSLUHOESU-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.85
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine

N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine (PubChem CID 62784806) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine
PubChem CID62784806
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC NameN-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1ccc(Br)cc1)C1CNC1
InChIInChI=1S/C11H15BrN2/c1-14(11-6-13-7-11)8-9-2-4-10(12)5-3-9/h2-5,11,13H,6-8H2,1H3
InChIKeyBQJANHSLUHOESU-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine (CID 62784806) is N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine is CN(Cc1ccc(Br)cc1)C1CNC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine?
The InChIKey is BQJANHSLUHOESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-14(11-6-13-7-11)8-9-2-4-10(12)5-3-9/h2-5,11,13H,6-8H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine?
N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine has a molecular weight of 255.16 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 62784806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).