[3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine

C14H21NO2 — CID 64906687

IUPAC[3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine
SMILESCOC1(OC)CC(CN)(c2cccc(C)c2)C1
InChIInChI=1S/C14H21NO2/c1-11-5-4-6-12(7-11)13(10-15)8-14(9-13,16-2)17-3/h4-7H,8-10,15H2,1-3H3
InChIKeyWZIZKNHALBJPLY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds4

About [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine

[3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine (PubChem CID 64906687) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine
PubChem CID64906687
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine
SMILESCOC1(OC)CC(CN)(c2cccc(C)c2)C1
InChIInChI=1S/C14H21NO2/c1-11-5-4-6-12(7-11)13(10-15)8-14(9-13,16-2)17-3/h4-7H,8-10,15H2,1-3H3
InChIKeyWZIZKNHALBJPLY-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine 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

[1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine
CID 64905235
[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine
CID 70298951
[4-(3-methylphenyl)thian-4-yl]methanamine
CID 83822688
[3-ethyl-1-(3-methylphenyl)cyclobutyl]methanamine
CID 65000759
[1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine
CID 82294475
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol
CID 125470767
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
[1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine
CID 70294454
1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione
CID 143706143
4-ethyl-4-(3-methylphenyl)oxane
CID 143442460
[1-(3-methylphenoxy)cyclopropyl]methanamine
CID 83920734

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine?
The IUPAC name of [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine (CID 64906687) is [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine is COC1(OC)CC(CN)(c2cccc(C)c2)C1.
What is the InChIKey of [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine?
The InChIKey is WZIZKNHALBJPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-5-4-6-12(7-11)13(10-15)8-14(9-13,16-2)17-3/h4-7H,8-10,15H2,1-3H3.
What are the key properties of [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine?
[3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 64906687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).