3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine

C15H24N2 — CID 116952452

IUPAC3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine
SMILESCNC(c1cc(C)c(C)cc1C)C1CC(N)C1
InChIInChI=1S/C15H24N2/c1-9-5-11(3)14(6-10(9)2)15(17-4)12-7-13(16)8-12/h5-6,12-13,15,17H,7-8,16H2,1-4H3
InChIKeyDXOQSUKDGRPJIW-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.61
Rot. Bonds3

About 3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine

3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116952452) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine
PubChem CID116952452
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine
SMILESCNC(c1cc(C)c(C)cc1C)C1CC(N)C1
InChIInChI=1S/C15H24N2/c1-9-5-11(3)14(6-10(9)2)15(17-4)12-7-13(16)8-12/h5-6,12-13,15,17H,7-8,16H2,1-4H3
InChIKeyDXOQSUKDGRPJIW-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine
CID 116952458
4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine
CID 116952300
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 115998144
N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 65424736
3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine
CID 116952387
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 104990570
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990064
N-methyl-1-(thiolan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 80622016
N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 116956720
1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851821
N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65409670
N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine
CID 116954358

Frequently Asked Questions

What is the IUPAC name of 3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine (CID 116952452) is 3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine is CNC(c1cc(C)c(C)cc1C)C1CC(N)C1.
What is the InChIKey of 3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is DXOQSUKDGRPJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-9-5-11(3)14(6-10(9)2)15(17-4)12-7-13(16)8-12/h5-6,12-13,15,17H,7-8,16H2,1-4H3.
What are the key properties of 3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine?
3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116952452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).