N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine

C15H24N2O — CID 115249546

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CCNCC2(CN)COC2)cc1C
InChIInChI=1S/C15H24N2O/c1-12-3-4-14(7-13(12)2)5-6-17-9-15(8-16)10-18-11-15/h3-4,7,17H,5-6,8-11,16H2,1-2H3
InChIKeyPMAYFFMJOCZYMJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.41
Rot. Bonds6

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 115249546) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine
PubChem CID115249546
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CCNCC2(CN)COC2)cc1C
InChIInChI=1S/C15H24N2O/c1-12-3-4-14(7-13(12)2)5-6-17-9-15(8-16)10-18-11-15/h3-4,7,17H,5-6,8-11,16H2,1-2H3
InChIKeyPMAYFFMJOCZYMJ-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2,4,6-trimethylphenyl)ethanamine
CID 115249565
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(5-bromo-2-methylphenyl)ethanamine
CID 115249579
[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249064
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
N'-[2-(3,4-dimethylphenyl)ethyl]methanediamine
CID 115225997
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine
CID 115249403
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-bromophenyl)ethanamine
CID 115249596
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115249582
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244866

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine (CID 115249546) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine is Cc1ccc(CCNCC2(CN)COC2)cc1C.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is PMAYFFMJOCZYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-3-4-14(7-13(12)2)5-6-17-9-15(8-16)10-18-11-15/h3-4,7,17H,5-6,8-11,16H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 115249546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).