[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol

C15H23NO3 — CID 111976653

IUPAC[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol
SMILESCc1cccc(OCCN(C)CC2(CO)COC2)c1
InChIInChI=1S/C15H23NO3/c1-13-4-3-5-14(8-13)19-7-6-16(2)9-15(10-17)11-18-12-15/h3-5,8,17H,6-7,9-12H2,1-2H3
InChIKeyLSCWTMJNXAYPJO-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.31
Rot. Bonds7

About [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol

[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol (PubChem CID 111976653) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol
PubChem CID111976653
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol
SMILESCc1cccc(OCCN(C)CC2(CO)COC2)c1
InChIInChI=1S/C15H23NO3/c1-13-4-3-5-14(8-13)19-7-6-16(2)9-15(10-17)11-18-12-15/h3-5,8,17H,6-7,9-12H2,1-2H3
InChIKeyLSCWTMJNXAYPJO-UHFFFAOYSA-N
XLogP1.31
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol
CID 115669684
[3-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 115249120
3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
CID 70976864
N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine
CID 5262030
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
CID 79269116
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972
1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78820677
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
CID 114948588
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol (CID 111976653) is [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol is Cc1cccc(OCCN(C)CC2(CO)COC2)c1.
What is the InChIKey of [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol?
The InChIKey is LSCWTMJNXAYPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13-4-3-5-14(8-13)19-7-6-16(2)9-15(10-17)11-18-12-15/h3-5,8,17H,6-7,9-12H2,1-2H3.
What are the key properties of [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol?
[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol has a molecular weight of 265.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).