N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline

C15H24N2O2 — CID 115245612

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
SMILESCOc1ccc(NCC2(CN)CCC2)c(OC)c1C
InChIInChI=1S/C15H24N2O2/c1-11-13(18-2)6-5-12(14(11)19-3)17-10-15(9-16)7-4-8-15/h5-6,17H,4,7-10,16H2,1-3H3
InChIKeyIFZNZEOXHXMRKD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.55
Rot. Bonds6

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline

N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline (PubChem CID 115245612) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
PubChem CID115245612
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
SMILESCOc1ccc(NCC2(CN)CCC2)c(OC)c1C
InChIInChI=1S/C15H24N2O2/c1-11-13(18-2)6-5-12(14(11)19-3)17-10-15(9-16)7-4-8-15/h5-6,17H,4,7-10,16H2,1-3H3
InChIKeyIFZNZEOXHXMRKD-UHFFFAOYSA-N
XLogP2.55
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115243877
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
CID 115245654
N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252337
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
CID 115243925
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline
CID 115245575
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
CID 115246686
5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246032
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
3-(2,4-dimethoxy-3-methylanilino)propanenitrile
CID 115230671
4-(2,4-dimethoxy-3-methylanilino)butan-1-ol
CID 115217383
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline (CID 115245612) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline is COc1ccc(NCC2(CN)CCC2)c(OC)c1C.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline?
The InChIKey is IFZNZEOXHXMRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-13(18-2)6-5-12(14(11)19-3)17-10-15(9-16)7-4-8-15/h5-6,17H,4,7-10,16H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline has a molecular weight of 264.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline is sourced from PubChem (CID 115245612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).