2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine

C13H19N — CID 81013130

IUPAC2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine
SMILESCc1cc(C)cc(CC2CCC2N)c1
InChIInChI=1S/C13H19N/c1-9-5-10(2)7-11(6-9)8-12-3-4-13(12)14/h5-7,12-13H,3-4,8,14H2,1-2H3
InChIKeyMZLGWBHMJUOSKS-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.58
Rot. Bonds2

About 2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine

2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine (PubChem CID 81013130) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine
PubChem CID81013130
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine
SMILESCc1cc(C)cc(CC2CCC2N)c1
InChIInChI=1S/C13H19N/c1-9-5-10(2)7-11(6-9)8-12-3-4-13(12)14/h5-7,12-13H,3-4,8,14H2,1-2H3
InChIKeyMZLGWBHMJUOSKS-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine (CID 81013130) is 2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine is Cc1cc(C)cc(CC2CCC2N)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is MZLGWBHMJUOSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-5-10(2)7-11(6-9)8-12-3-4-13(12)14/h5-7,12-13H,3-4,8,14H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine?
2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81013130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).