1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine

C14H21NO — CID 117112931

IUPAC1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
SMILESCOc1c(C)c(C)cc(C)c1C1(N)CCC1
InChIInChI=1S/C14H21NO/c1-9-8-10(2)12(13(16-4)11(9)3)14(15)6-5-7-14/h8H,5-7,15H2,1-4H3
InChIKeyLNBLRESPESEDLG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds2

About 1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine

1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine (PubChem CID 117112931) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
PubChem CID117112931
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
SMILESCOc1c(C)c(C)cc(C)c1C1(N)CCC1
InChIInChI=1S/C14H21NO/c1-9-8-10(2)12(13(16-4)11(9)3)14(15)6-5-7-14/h8H,5-7,15H2,1-4H3
InChIKeyLNBLRESPESEDLG-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine
CID 116872712
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane
CID 116864143
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine (CID 117112931) is 1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine is COc1c(C)c(C)cc(C)c1C1(N)CCC1.
What is the InChIKey of 1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine?
The InChIKey is LNBLRESPESEDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-8-10(2)12(13(16-4)11(9)3)14(15)6-5-7-14/h8H,5-7,15H2,1-4H3.
What are the key properties of 1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine?
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117112931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).