N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine

C13H19NO — CID 116872821

IUPACN-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine
SMILESCNC1(c2ccc(C)c(C)c2C)COC1
InChIInChI=1S/C13H19NO/c1-9-5-6-12(11(3)10(9)2)13(14-4)7-15-8-13/h5-6,14H,7-8H2,1-4H3
InChIKeyFGUKSPKALIEARH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.06
Rot. Bonds2

About N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine

N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine (PubChem CID 116872821) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine
PubChem CID116872821
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine
SMILESCNC1(c2ccc(C)c(C)c2C)COC1
InChIInChI=1S/C13H19NO/c1-9-5-6-12(11(3)10(9)2)13(14-4)7-15-8-13/h5-6,14H,7-8H2,1-4H3
InChIKeyFGUKSPKALIEARH-UHFFFAOYSA-N
XLogP2.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine
CID 116869315
N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine
CID 116869709
2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
CID 116869514
3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide
CID 116876228
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine
CID 116872794
3-[(2,3,4-trimethylphenyl)carbamoyl]oxetane-3-carboxylic acid
CID 115184921
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
[2,2-dimethyl-1-(2,3,4-trimethylphenyl)cyclopropyl]methanol
CID 116842736
N-tert-butylsulfanyl-3-(3,4-dimethyl-2-pyridinyl)oxetan-3-amine
CID 177346494

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine?
The IUPAC name of N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine (CID 116872821) is N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine.
What is the SMILES notation for N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine?
The canonical SMILES for N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine is CNC1(c2ccc(C)c(C)c2C)COC1.
What is the InChIKey of N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine?
The InChIKey is FGUKSPKALIEARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-5-6-12(11(3)10(9)2)13(14-4)7-15-8-13/h5-6,14H,7-8H2,1-4H3.
What are the key properties of N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine?
N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine is sourced from PubChem (CID 116872821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).