[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine

C14H22N2O2 — CID 116944935

IUPAC[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)C2(CN)COC2)cc1C
InChIInChI=1S/C14H22N2O2/c1-9-5-12(17-3)10(2)4-11(9)13(16)14(6-15)7-18-8-14/h4-5,13H,6-8,15-16H2,1-3H3
InChIKeyMUEGZWOQDOKUJU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.29
Rot. Bonds4

About [3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine

[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine (PubChem CID 116944935) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
PubChem CID116944935
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)C2(CN)COC2)cc1C
InChIInChI=1S/C14H22N2O2/c1-9-5-12(17-3)10(2)4-11(9)13(16)14(6-15)7-18-8-14/h4-5,13H,6-8,15-16H2,1-3H3
InChIKeyMUEGZWOQDOKUJU-UHFFFAOYSA-N
XLogP1.29
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913
[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
CID 116943251
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116913049
(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943544

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine (CID 116944935) is [3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine is COc1cc(C)c(C(N)C2(CN)COC2)cc1C.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine?
The InChIKey is MUEGZWOQDOKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-5-12(17-3)10(2)4-11(9)13(16)14(6-15)7-18-8-14/h4-5,13H,6-8,15-16H2,1-3H3.
What are the key properties of [3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine?
[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine has a molecular weight of 250.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 116944935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).