N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine

C14H21NO — CID 116869315

IUPACN-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine
SMILESCNCC1(c2ccc(C)c(C)c2C)COC1
InChIInChI=1S/C14H21NO/c1-10-5-6-13(12(3)11(10)2)14(7-15-4)8-16-9-14/h5-6,15H,7-9H2,1-4H3
InChIKeyXMJDCEFIWLRAMS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.10
Rot. Bonds3

About N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine

N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine (PubChem CID 116869315) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine
PubChem CID116869315
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine
SMILESCNCC1(c2ccc(C)c(C)c2C)COC1
InChIInChI=1S/C14H21NO/c1-10-5-6-13(12(3)11(10)2)14(7-15-4)8-16-9-14/h5-6,15H,7-9H2,1-4H3
InChIKeyXMJDCEFIWLRAMS-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine
CID 116869709
1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869271
N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine
CID 116872821
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869258
2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
CID 116869514
1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869268
1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine
CID 82475681
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide
CID 116876228
2-[3-(4-methoxy-2,3,5-trimethylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869665
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine (CID 116869315) is N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine is CNCC1(c2ccc(C)c(C)c2C)COC1.
What is the InChIKey of N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine?
The InChIKey is XMJDCEFIWLRAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-6-13(12(3)11(10)2)14(7-15-4)8-16-9-14/h5-6,15H,7-9H2,1-4H3.
What are the key properties of N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine?
N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116869315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).