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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Related Compounds

2-[(3,4-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81015021
N-[[2-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018355
4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine
CID 106777878
2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 82935009
2-[(3,5-dimethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009445
1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene
CID 55191885
1-[(2-bromo-5-tert-butylcyclohexyl)methyl]-3,5-dimethylbenzene
CID 63473186
1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene
CID 15493112
1-[2-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033230
carbanide;bis(1-(cyclopentylmethyl)-3,5-dimethylbenzene);dichlorozirconium(2+)
CID 162285999
1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63473353
4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63401399

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).