[3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol

C14H21NO3 — CID 116959480

IUPAC[3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
SMILESCCOc1ccc(C(NC)C2(CO)COC2)cc1
InChIInChI=1S/C14H21NO3/c1-3-18-12-6-4-11(5-7-12)13(15-2)14(8-16)9-17-10-14/h4-7,13,15-16H,3,8-10H2,1-2H3
InChIKeyWLPFZIBEYWRBOH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.35
Rot. Bonds6

About [3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol

[3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol (PubChem CID 116959480) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
PubChem CID116959480
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
SMILESCCOc1ccc(C(NC)C2(CO)COC2)cc1
InChIInChI=1S/C14H21NO3/c1-3-18-12-6-4-11(5-7-12)13(15-2)14(8-16)9-17-10-14/h4-7,13,15-16H,3,8-10H2,1-2H3
InChIKeyWLPFZIBEYWRBOH-UHFFFAOYSA-N
XLogP1.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959457
[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959451
1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958660
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116959513
[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116930338
[3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959472
(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922574
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 43481938
1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
CID 80604791
(4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943533

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol (CID 116959480) is [3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol is CCOc1ccc(C(NC)C2(CO)COC2)cc1.
What is the InChIKey of [3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is WLPFZIBEYWRBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-12-6-4-11(5-7-12)13(15-2)14(8-16)9-17-10-14/h4-7,13,15-16H,3,8-10H2,1-2H3.
What are the key properties of [3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
[3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116959480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).