[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine

C13H19NO3 — CID 116930487

IUPAC[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine
SMILESCOc1ccc(CC2(CN)COC2)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-15-11-4-3-10(12(5-11)16-2)6-13(7-14)8-17-9-13/h3-5H,6-9,14H2,1-2H3
InChIKeyTWIPCHZJPGUKEO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds5

About [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine

[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine (PubChem CID 116930487) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine
PubChem CID116930487
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine
SMILESCOc1ccc(CC2(CN)COC2)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-15-11-4-3-10(12(5-11)16-2)6-13(7-14)8-17-9-13/h3-5H,6-9,14H2,1-2H3
InChIKeyTWIPCHZJPGUKEO-UHFFFAOYSA-N
XLogP1.22
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]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

[4-[(2-bromo-5-methoxyphenyl)methyl]oxan-4-yl]methanamine
CID 65326731
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930480
1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116959584
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913
6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane
CID 82486393
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
4-(2,4-dimethoxyphenyl)but-2-yn-1-amine
CID 91200946
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride
CID 142687563
[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65389985

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine (CID 116930487) is [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine is COc1ccc(CC2(CN)COC2)c(OC)c1.
What is the InChIKey of [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine?
The InChIKey is TWIPCHZJPGUKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-11-4-3-10(12(5-11)16-2)6-13(7-14)8-17-9-13/h3-5H,6-9,14H2,1-2H3.
What are the key properties of [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine?
[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116930487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).