N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline

C13H19NO2 — CID 104870383

IUPACN-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC2CC(OC)C2)c1
InChIInChI=1S/C13H19NO2/c1-15-9-10-4-3-5-11(6-10)14-12-7-13(8-12)16-2/h3-6,12-14H,7-9H2,1-2H3
InChIKeyFVRICQOUHTWGKD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.42
Rot. Bonds5

About N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline

N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline (PubChem CID 104870383) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
PubChem CID104870383
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC2CC(OC)C2)c1
InChIInChI=1S/C13H19NO2/c1-15-9-10-4-3-5-11(6-10)14-12-7-13(8-12)16-2/h3-6,12-14H,7-9H2,1-2H3
InChIKeyFVRICQOUHTWGKD-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline 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

3-(methoxymethyl)-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43672267
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43672274
4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65084477
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
N-[3-(methoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931159
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline
CID 104870345
3-[(3-methoxycyclobutyl)amino]benzonitrile
CID 104869053
N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
CID 65074545
N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline
CID 64762986
3-(methoxymethyl)-N-methylaniline
CID 23080905

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline?
The IUPAC name of N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline (CID 104870383) is N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline.
What is the SMILES notation for N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline?
The canonical SMILES for N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline is COCc1cccc(NC2CC(OC)C2)c1.
What is the InChIKey of N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline?
The InChIKey is FVRICQOUHTWGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-9-10-4-3-5-11(6-10)14-12-7-13(8-12)16-2/h3-6,12-14H,7-9H2,1-2H3.
What are the key properties of N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline?
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline has a molecular weight of 221.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline is sourced from PubChem (CID 104870383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).