N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine

C17H25NO — CID 106681605

IUPACN-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine
SMILESCOc1cc(C)cc(C)c1C1CCC1CNC1CC1
InChIInChI=1S/C17H25NO/c1-11-8-12(2)17(16(9-11)19-3)15-7-4-13(15)10-18-14-5-6-14/h8-9,13-15,18H,4-7,10H2,1-3H3
InChIKeyJTXOANUTKPOXTA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.56
Rot. Bonds5

About N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 106681605) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine
PubChem CID106681605
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine
SMILESCOc1cc(C)cc(C)c1C1CCC1CNC1CC1
InChIInChI=1S/C17H25NO/c1-11-8-12(2)17(16(9-11)19-3)15-7-4-13(15)10-18-14-5-6-14/h8-9,13-15,18H,4-7,10H2,1-3H3
InChIKeyJTXOANUTKPOXTA-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 106681604
1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine
CID 106681630
N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 81017647
3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one
CID 106681264
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine
CID 106681285
N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
N'-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116935221
N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115207098
3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 112518695
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81033094
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine (CID 106681605) is N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine is COc1cc(C)cc(C)c1C1CCC1CNC1CC1.
What is the InChIKey of N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is JTXOANUTKPOXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-8-12(2)17(16(9-11)19-3)15-7-4-13(15)10-18-14-5-6-14/h8-9,13-15,18H,4-7,10H2,1-3H3.
What are the key properties of N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 106681605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).