1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine

C15H24N2O — CID 116913020

IUPAC1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
SMILESCCc1ccc(C(N(C)C)C2(CN)COC2)cc1
InChIInChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)14(17(2)3)15(9-16)10-18-11-15/h5-8,14H,4,9-11,16H2,1-3H3
InChIKeyUIKXXLQHSHTNIG-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.83
Rot. Bonds5

About 1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine

1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine (PubChem CID 116913020) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
PubChem CID116913020
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
SMILESCCc1ccc(C(N(C)C)C2(CN)COC2)cc1
InChIInChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)14(17(2)3)15(9-16)10-18-11-15/h5-8,14H,4,9-11,16H2,1-3H3
InChIKeyUIKXXLQHSHTNIG-UHFFFAOYSA-N
XLogP1.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine
CID 116913035
1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 116912489
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 116913048
1-[1-(aminomethyl)cyclopropyl]-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 116912250
[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912957
3-[dimethylamino-(4-propylphenyl)methyl]oxetane-3-carbonitrile
CID 116912818
1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
CID 116912305
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757
[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930450
[3-(difluoromethyl)oxetan-3-yl]methanamine
CID 105427900
[3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116944912
(3-butan-2-yloxetan-3-yl)methanamine
CID 139418018

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine (CID 116913020) is 1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine is CCc1ccc(C(N(C)C)C2(CN)COC2)cc1.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine?
The InChIKey is UIKXXLQHSHTNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)14(17(2)3)15(9-16)10-18-11-15/h5-8,14H,4,9-11,16H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine?
1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116913020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).