[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol

C13H19NO3 — CID 115248930

IUPAC[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
SMILESCOc1ccccc1N(C)CC1(CO)COC1
InChIInChI=1S/C13H19NO3/c1-14(7-13(8-15)9-17-10-13)11-5-3-4-6-12(11)16-2/h3-6,15H,7-10H2,1-2H3
InChIKeyHHBCCVIDDKHTIT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.14
Rot. Bonds5

About [3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol

[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol (PubChem CID 115248930) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
PubChem CID115248930
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
SMILESCOc1ccccc1N(C)CC1(CO)COC1
InChIInChI=1S/C13H19NO3/c1-14(7-13(8-15)9-17-10-13)11-5-3-4-6-12(11)16-2/h3-6,15H,7-10H2,1-2H3
InChIKeyHHBCCVIDDKHTIT-UHFFFAOYSA-N
XLogP1.14
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62260099
N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 63742093
[3-[(3-bromo-4-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248882
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-fluoro-2-methoxy-N-methylaniline
CID 115249298
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
[3-[[methyl(thiophen-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248861
[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976549
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline
CID 66472307
1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245198
N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline
CID 115913163

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol (CID 115248930) is [3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol is COc1ccccc1N(C)CC1(CO)COC1.
What is the InChIKey of [3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol?
The InChIKey is HHBCCVIDDKHTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14(7-13(8-15)9-17-10-13)11-5-3-4-6-12(11)16-2/h3-6,15H,7-10H2,1-2H3.
What are the key properties of [3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol?
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115248930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).