2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline

C15H24N2O — CID 115244536

IUPAC2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
SMILESCNCC1(CNc2c(C)cc(C)cc2OC)CC1
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)14(13(8-11)18-4)17-10-15(5-6-15)9-16-3/h7-8,16-17H,5-6,9-10H2,1-4H3
InChIKeyAODCCPAQIBGIPI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.72
Rot. Bonds6

About 2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline

2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline (PubChem CID 115244536) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
PubChem CID115244536
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
SMILESCNCC1(CNc2c(C)cc(C)cc2OC)CC1
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)14(13(8-11)18-4)17-10-15(5-6-15)9-16-3/h7-8,16-17H,5-6,9-10H2,1-4H3
InChIKeyAODCCPAQIBGIPI-UHFFFAOYSA-N
XLogP2.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115241999
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
CID 115243916
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
CID 115243925
N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline
CID 115214635
N'-(2-methoxy-4,6-dimethylphenyl)methanediamine
CID 115225448
2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244554
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 115244718
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244866
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 116929141
2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244616
1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine
CID 117037485

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
The IUPAC name of 2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline (CID 115244536) is 2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline.
What is the SMILES notation for 2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
The canonical SMILES for 2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline is CNCC1(CNc2c(C)cc(C)cc2OC)CC1.
What is the InChIKey of 2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
The InChIKey is AODCCPAQIBGIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-12(2)14(13(8-11)18-4)17-10-15(5-6-15)9-16-3/h7-8,16-17H,5-6,9-10H2,1-4H3.
What are the key properties of 2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline is sourced from PubChem (CID 115244536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).