[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine

C16H26N2O — CID 116943909

IUPAC[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine
SMILESCOc1c(C)c(C)cc(C)c1C(N)C1(CN)CCC1
InChIInChI=1S/C16H26N2O/c1-10-8-11(2)13(14(19-4)12(10)3)15(18)16(9-17)6-5-7-16/h8,15H,5-7,9,17-18H2,1-4H3
InChIKeyAZUXGMLRDGAISG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.75
Rot. Bonds4

About [1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine

[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine (PubChem CID 116943909) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine
PubChem CID116943909
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine
SMILESCOc1c(C)c(C)cc(C)c1C(N)C1(CN)CCC1
InChIInChI=1S/C16H26N2O/c1-10-8-11(2)13(14(19-4)12(10)3)15(18)16(9-17)6-5-7-16/h8,15H,5-7,9,17-18H2,1-4H3
InChIKeyAZUXGMLRDGAISG-UHFFFAOYSA-N
XLogP2.75
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116943845
1-[amino-(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943159
[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine
CID 116943405
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine
CID 116943456
2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanethiol
CID 116830729
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
CID 116944258

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine (CID 116943909) is [1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine is COc1c(C)c(C)cc(C)c1C(N)C1(CN)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine?
The InChIKey is AZUXGMLRDGAISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-8-11(2)13(14(19-4)12(10)3)15(18)16(9-17)6-5-7-16/h8,15H,5-7,9,17-18H2,1-4H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine?
[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 116943909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).