N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine

C17H28N2O — CID 80999243

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
SMILESCOc1ccccc1CN(C)C1CCC1CNC(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)18-11-14-9-10-16(14)19(3)12-15-7-5-6-8-17(15)20-4/h5-8,13-14,16,18H,9-12H2,1-4H3
InChIKeyMAQOVDODKRXNMT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.90
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine

N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine (PubChem CID 80999243) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
PubChem CID80999243
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
SMILESCOc1ccccc1CN(C)C1CCC1CNC(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)18-11-14-9-10-16(14)19(3)12-15-7-5-6-8-17(15)20-4/h5-8,13-14,16,18H,9-12H2,1-4H3
InChIKeyMAQOVDODKRXNMT-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
N-methyl-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999324
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
1-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103775898
trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
CID 102732198
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine (CID 80999243) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine is COc1ccccc1CN(C)C1CCC1CNC(C)C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The InChIKey is MAQOVDODKRXNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)18-11-14-9-10-16(14)19(3)12-15-7-5-6-8-17(15)20-4/h5-8,13-14,16,18H,9-12H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80999243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).