N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine

C14H22N2O2 — CID 115249526

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccccc1CN(C)CC1(CN)COC1
InChIInChI=1S/C14H22N2O2/c1-16(9-14(8-15)10-18-11-14)7-12-5-3-4-6-13(12)17-2/h3-6H,7-11,15H2,1-2H3
InChIKeyKSNAWJZFUOAWEG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.10
Rot. Bonds6

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine (PubChem CID 115249526) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
PubChem CID115249526
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccccc1CN(C)CC1(CN)COC1
InChIInChI=1S/C14H22N2O2/c1-16(9-14(8-15)10-18-11-14)7-12-5-3-4-6-13(12)17-2/h3-6H,7-11,15H2,1-2H3
InChIKeyKSNAWJZFUOAWEG-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115249490
N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine
CID 62259078
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine
CID 115249625
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carbaldehyde
CID 62391104
3-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-3-carboxylic acid
CID 63747090
methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247629
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142889
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 28759377
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-fluoro-2-methoxy-N-methylaniline
CID 115249298
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine (CID 115249526) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine is COc1ccccc1CN(C)CC1(CN)COC1.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is KSNAWJZFUOAWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(9-14(8-15)10-18-11-14)7-12-5-3-4-6-13(12)17-2/h3-6H,7-11,15H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 250.34 g/mol, XLogP of 1.10, 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-(2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 115249526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).