N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine

C13H20N2 — CID 117040590

IUPACN-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine
SMILESCc1cc(C)c(N(C)C2CNC2)cc1C
InChIInChI=1S/C13H20N2/c1-9-5-11(3)13(6-10(9)2)15(4)12-7-14-8-12/h5-6,12,14H,7-8H2,1-4H3
InChIKeySTAZXTNQCMQAJV-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.02
Rot. Bonds2

About N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine

N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine (PubChem CID 117040590) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine
PubChem CID117040590
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine
SMILESCc1cc(C)c(N(C)C2CNC2)cc1C
InChIInChI=1S/C13H20N2/c1-9-5-11(3)13(6-10(9)2)15(4)12-7-14-8-12/h5-6,12,14H,7-8H2,1-4H3
InChIKeySTAZXTNQCMQAJV-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine?
The IUPAC name of N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine (CID 117040590) is N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine.
What is the SMILES notation for N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine?
The canonical SMILES for N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine is Cc1cc(C)c(N(C)C2CNC2)cc1C.
What is the InChIKey of N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine?
The InChIKey is STAZXTNQCMQAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-5-11(3)13(6-10(9)2)15(4)12-7-14-8-12/h5-6,12,14H,7-8H2,1-4H3.
What are the key properties of N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine?
N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine is sourced from PubChem (CID 117040590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).