N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline

C15H24N2O — CID 115244018

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline
SMILESCOc1cc(C)cc(C)c1N(C)CC1(CN)CC1
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)14(13(8-11)18-4)17(3)10-15(9-16)5-6-15/h7-8H,5-6,9-10,16H2,1-4H3
InChIKeyPUBJQKJPSZLHGK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline (PubChem CID 115244018) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline
PubChem CID115244018
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline
SMILESCOc1cc(C)cc(C)c1N(C)CC1(CN)CC1
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)14(13(8-11)18-4)17(3)10-15(9-16)5-6-15/h7-8H,5-6,9-10,16H2,1-4H3
InChIKeyPUBJQKJPSZLHGK-UHFFFAOYSA-N
XLogP2.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
CID 115243996
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115244001
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
CID 115261763
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
[1-[(N,2,4,6-tetramethylanilino)methyl]cyclopropyl]methanol
CID 115243342
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxy-N-methylaniline
CID 115243951
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
CID 84778072
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide
CID 115272623
3-(2-methoxy-N,4,6-trimethylanilino)propane-1-thiol
CID 115224772
2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile
CID 115254389
1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242157

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline (CID 115244018) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline is COc1cc(C)cc(C)c1N(C)CC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline?
The InChIKey is PUBJQKJPSZLHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-12(2)14(13(8-11)18-4)17(3)10-15(9-16)5-6-15/h7-8H,5-6,9-10,16H2,1-4H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline is sourced from PubChem (CID 115244018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).