3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine

C14H21NO2 — CID 104587859

IUPAC3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
SMILESCOCc1cccc(CNC2CC(OC)C2)c1
InChIInChI=1S/C14H21NO2/c1-16-10-12-5-3-4-11(6-12)9-15-13-7-14(8-13)17-2/h3-6,13-15H,7-10H2,1-2H3
InChIKeyMIVQBBJYXPBOBK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds6

About 3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine

3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine (PubChem CID 104587859) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
PubChem CID104587859
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
SMILESCOCc1cccc(CNC2CC(OC)C2)c1
InChIInChI=1S/C14H21NO2/c1-16-10-12-5-3-4-11(6-12)9-15-13-7-14(8-13)17-2/h3-6,13-15H,7-10H2,1-2H3
InChIKeyMIVQBBJYXPBOBK-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-N-[[3-(methoxymethyl)phenyl]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

3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113429867
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
N-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428323
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine (CID 104587859) is 3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine is COCc1cccc(CNC2CC(OC)C2)c1.
What is the InChIKey of 3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine?
The InChIKey is MIVQBBJYXPBOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-10-12-5-3-4-11(6-12)9-15-13-7-14(8-13)17-2/h3-6,13-15H,7-10H2,1-2H3.
What are the key properties of 3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine?
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 104587859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).