1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine

C13H20N2 — CID 116950709

IUPAC1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1C)C1CNC1
InChIInChI=1S/C13H20N2/c1-9-4-5-10(2)12(6-9)13(14-3)11-7-15-8-11/h4-6,11,13-15H,7-8H2,1-3H3
InChIKeyXDQHKRDFPAUWON-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.78
Rot. Bonds3

About 1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine

1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 116950709) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
PubChem CID116950709
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1C)C1CNC1
InChIInChI=1S/C13H20N2/c1-9-4-5-10(2)12(6-9)13(14-3)11-7-15-8-11/h4-6,11,13-15H,7-8H2,1-3H3
InChIKeyXDQHKRDFPAUWON-UHFFFAOYSA-N
XLogP1.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66477637
1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
1-(azetidin-3-yl)-1-(2-bromophenyl)-N-methylmethanamine
CID 116950844
1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
CID 116950761
1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 116950716
[cyclohexyl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105201807
1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851821
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951284
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine (CID 116950709) is 1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)ccc1C)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is XDQHKRDFPAUWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-4-5-10(2)12(6-9)13(14-3)11-7-15-8-11/h4-6,11,13-15H,7-8H2,1-3H3.
What are the key properties of 1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116950709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).