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

C15H24N2O2 — CID 116952458

IUPAC3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine
SMILESCNC(c1cc(OC)c(OC)cc1C)C1CC(N)C1
InChIInChI=1S/C15H24N2O2/c1-9-5-13(18-3)14(19-4)8-12(9)15(17-2)10-6-11(16)7-10/h5,8,10-11,15,17H,6-7,16H2,1-4H3
InChIKeyDEIGFMAOHFAARG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.01
Rot. Bonds5

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

3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine (PubChem CID 116952458) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine
PubChem CID116952458
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine
SMILESCNC(c1cc(OC)c(OC)cc1C)C1CC(N)C1
InChIInChI=1S/C15H24N2O2/c1-9-5-13(18-3)14(19-4)8-12(9)15(17-2)10-6-11(16)7-10/h5,8,10-11,15,17H,6-7,16H2,1-4H3
InChIKeyDEIGFMAOHFAARG-UHFFFAOYSA-N
XLogP2.01
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116952452
4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine
CID 116952300
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62866756
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 115998144
1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951266
1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65433147
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine
CID 116952387
1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 63509267
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine (CID 116952458) is 3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine is CNC(c1cc(OC)c(OC)cc1C)C1CC(N)C1.
What is the InChIKey of 3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine?
The InChIKey is DEIGFMAOHFAARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9-5-13(18-3)14(19-4)8-12(9)15(17-2)10-6-11(16)7-10/h5,8,10-11,15,17H,6-7,16H2,1-4H3.
What are the key properties of 3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine?
3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116952458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).