N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline

C15H24N2O — CID 115245582

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
SMILESCOc1cc(C)c(C)cc1NCC1(CN)CCC1
InChIInChI=1S/C15H24N2O/c1-11-7-13(14(18-3)8-12(11)2)17-10-15(9-16)5-4-6-15/h7-8,17H,4-6,9-10,16H2,1-3H3
InChIKeyDJBZNHGPIFLOKP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.85
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline (PubChem CID 115245582) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
PubChem CID115245582
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
SMILESCOc1cc(C)c(C)cc1NCC1(CN)CCC1
InChIInChI=1S/C15H24N2O/c1-11-7-13(14(18-3)8-12(11)2)17-10-15(9-16)5-4-6-15/h7-8,17H,4-6,9-10,16H2,1-3H3
InChIKeyDJBZNHGPIFLOKP-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115245612
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
CID 115243925
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
CID 115245654
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115243877
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline
CID 115245575
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115244170
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
CID 115243916
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 115244105
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
1-[(5-chloro-2-methoxy-4-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245026

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline (CID 115245582) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline is COc1cc(C)c(C)cc1NCC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline?
The InChIKey is DJBZNHGPIFLOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-13(14(18-3)8-12(11)2)17-10-15(9-16)5-4-6-15/h7-8,17H,4-6,9-10,16H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline is sourced from PubChem (CID 115245582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).