[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol

C15H23NO3 — CID 115248903

IUPAC[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
SMILESCOc1c(C)cc(C)cc1N(C)CC1(CO)COC1
InChIInChI=1S/C15H23NO3/c1-11-5-12(2)14(18-4)13(6-11)16(3)7-15(8-17)9-19-10-15/h5-6,17H,7-10H2,1-4H3
InChIKeyJHRLRHLPPZAMTA-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.76
Rot. Bonds5

About [3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol

[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol (PubChem CID 115248903) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
PubChem CID115248903
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
SMILESCOc1c(C)cc(C)cc1N(C)CC1(CO)COC1
InChIInChI=1S/C15H23NO3/c1-11-5-12(2)14(18-4)13(6-11)16(3)7-15(8-17)9-19-10-15/h5-6,17H,7-10H2,1-4H3
InChIKeyJHRLRHLPPZAMTA-UHFFFAOYSA-N
XLogP1.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol with MolForge

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
CID 115243996
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248930
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
[1-[(N,2,4,6-tetramethylanilino)methyl]cyclopropyl]methanol
CID 115243342
2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221411
(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid
CID 115170741
[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol
CID 116829779
N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96672556
[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243345
[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol
CID 115243235
3-(2-methoxy-N,3,5-trimethylanilino)propanenitrile
CID 115230771
[3-[(N-ethyl-3,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 111976680

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol (CID 115248903) is [3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol is COc1c(C)cc(C)cc1N(C)CC1(CO)COC1.
What is the InChIKey of [3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol?
The InChIKey is JHRLRHLPPZAMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-5-12(2)14(18-4)13(6-11)16(3)7-15(8-17)9-19-10-15/h5-6,17H,7-10H2,1-4H3.
What are the key properties of [3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol?
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol has a molecular weight of 265.35 g/mol, XLogP of 1.76, 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,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115248903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).