1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine

C12H18N2 — CID 63760734

IUPAC1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine
SMILESCc1cc(C)cc(CN2CC(N)C2)c1
InChIInChI=1S/C12H18N2/c1-9-3-10(2)5-11(4-9)6-14-7-12(13)8-14/h3-5,12H,6-8,13H2,1-2H3
InChIKeyLMMGRJXVLAWENL-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.45
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine

1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine (PubChem CID 63760734) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine
PubChem CID63760734
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine
SMILESCc1cc(C)cc(CN2CC(N)C2)c1
InChIInChI=1S/C12H18N2/c1-9-3-10(2)5-11(4-9)6-14-7-12(13)8-14/h3-5,12H,6-8,13H2,1-2H3
InChIKeyLMMGRJXVLAWENL-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine (CID 63760734) is 1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine is Cc1cc(C)cc(CN2CC(N)C2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine?
The InChIKey is LMMGRJXVLAWENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-3-10(2)5-11(4-9)6-14-7-12(13)8-14/h3-5,12H,6-8,13H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine?
1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 63760734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).