N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine

C15H24N2O — CID 115249403

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(CNCC2(CN)COC2)cc1
InChIInChI=1S/C15H24N2O/c1-2-3-13-4-6-14(7-5-13)8-17-10-15(9-16)11-18-12-15/h4-7,17H,2-3,8-12,16H2,1H3
InChIKeyQGYUKZQVXKDISO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.70
Rot. Bonds7

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine (PubChem CID 115249403) 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]-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine
PubChem CID115249403
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(CNCC2(CN)COC2)cc1
InChIInChI=1S/C15H24N2O/c1-2-3-13-4-6-14(7-5-13)8-17-10-15(9-16)11-18-12-15/h4-7,17H,2-3,8-12,16H2,1H3
InChIKeyQGYUKZQVXKDISO-UHFFFAOYSA-N
XLogP1.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248420
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115249546
[3-(4-propylphenyl)oxetan-3-yl]methanamine
CID 116829594
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056
1-(1,3-benzodioxol-5-yl)-N-[(3-ethyloxetan-3-yl)methyl]methanamine
CID 71853567
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2,4,6-trimethylphenyl)ethanamine
CID 115249565
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 115244133
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine
CID 115119666

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine (CID 115249403) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine is CCCc1ccc(CNCC2(CN)COC2)cc1.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine?
The InChIKey is QGYUKZQVXKDISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-13-4-6-14(7-5-13)8-17-10-15(9-16)11-18-12-15/h4-7,17H,2-3,8-12,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.70, 7 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]-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 115249403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).