[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine

C13H20N2O3 — CID 116944913

IUPAC[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)C2(CN)COC2)c1
InChIInChI=1S/C13H20N2O3/c1-16-9-3-4-11(17-2)10(5-9)12(15)13(6-14)7-18-8-13/h3-5,12H,6-8,14-15H2,1-2H3
InChIKeyUNJDIWCCOXFAGI-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.68
Rot. Bonds5

About [3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine

[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine (PubChem CID 116944913) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
PubChem CID116944913
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)C2(CN)COC2)c1
InChIInChI=1S/C13H20N2O3/c1-16-9-3-4-11(17-2)10(5-9)12(15)13(6-14)7-18-8-13/h3-5,12H,6-8,14-15H2,1-2H3
InChIKeyUNJDIWCCOXFAGI-UHFFFAOYSA-N
XLogP0.68
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116944935
[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116959584
[1-(aminomethyl)cyclopentyl]-(2,5-dimethoxyphenyl)methanol
CID 79134964
[3-[amino-(2-chloro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944825
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine
CID 116930487
[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
1-(2,5-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16780959
4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine (CID 116944913) is [3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine is COc1ccc(OC)c(C(N)C2(CN)COC2)c1.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine?
The InChIKey is UNJDIWCCOXFAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-16-9-3-4-11(17-2)10(5-9)12(15)13(6-14)7-18-8-13/h3-5,12H,6-8,14-15H2,1-2H3.
What are the key properties of [3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine?
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine has a molecular weight of 252.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 116944913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).