N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine

C15H24N2O2 — CID 115249490

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)CC2(CN)COC2)cc1C
InChIInChI=1S/C15H24N2O2/c1-12-6-13(4-5-14(12)18-3)7-17(2)9-15(8-16)10-19-11-15/h4-6H,7-11,16H2,1-3H3
InChIKeyNQROSPPVQOSECK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.41
Rot. Bonds6

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine (PubChem CID 115249490) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
PubChem CID115249490
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)CC2(CN)COC2)cc1C
InChIInChI=1S/C15H24N2O2/c1-12-6-13(4-5-14(12)18-3)7-17(2)9-15(8-16)10-19-11-15/h4-6H,7-11,16H2,1-3H3
InChIKeyNQROSPPVQOSECK-UHFFFAOYSA-N
XLogP1.41
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115249526
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115249494
[1-[(4-methoxy-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82283087
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-fluoro-2-methoxy-N-methylaniline
CID 115249298
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120899620
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine (CID 115249490) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine is COc1ccc(CN(C)CC2(CN)COC2)cc1C.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The InChIKey is NQROSPPVQOSECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-6-13(4-5-14(12)18-3)7-17(2)9-15(8-16)10-19-11-15/h4-6H,7-11,16H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115249490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).