2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

C16H26N2O — CID 115246108

IUPAC2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CN(C)c2cc(C)ccc2OC)CCC1
InChIInChI=1S/C16H26N2O/c1-13-6-7-15(19-4)14(10-13)18(3)12-16(11-17-2)8-5-9-16/h6-7,10,17H,5,8-9,11-12H2,1-4H3
InChIKeyRKFLJTVWPQVGKL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds6

About 2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (PubChem CID 115246108) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
PubChem CID115246108
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CN(C)c2cc(C)ccc2OC)CCC1
InChIInChI=1S/C16H26N2O/c1-13-6-7-15(19-4)14(10-13)18(3)12-16(11-17-2)8-5-9-16/h6-7,10,17H,5,8-9,11-12H2,1-4H3
InChIKeyRKFLJTVWPQVGKL-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244616
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246100
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115254869
2-methoxy-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62260099
2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246121
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline
CID 55056003
N-(2-methoxy-5-methylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82494481
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine
CID 117037485

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The IUPAC name of 2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (CID 115246108) is 2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.
What is the SMILES notation for 2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The canonical SMILES for 2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is CNCC1(CN(C)c2cc(C)ccc2OC)CCC1.
What is the InChIKey of 2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The InChIKey is RKFLJTVWPQVGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-7-15(19-4)14(10-13)18(3)12-16(11-17-2)8-5-9-16/h6-7,10,17H,5,8-9,11-12H2,1-4H3.
What are the key properties of 2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is sourced from PubChem (CID 115246108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).