N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine

C16H25NO3 — CID 102607756

IUPACN-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1C(CNC(C)(C)C)OC1COC1
InChIInChI=1S/C16H25NO3/c1-16(2,3)17-9-15(20-12-10-19-11-12)13-7-5-6-8-14(13)18-4/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyIOVHRZNJPPLJBD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine

N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine (PubChem CID 102607756) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine
PubChem CID102607756
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1C(CNC(C)(C)C)OC1COC1
InChIInChI=1S/C16H25NO3/c1-16(2,3)17-9-15(20-12-10-19-11-12)13-7-5-6-8-14(13)18-4/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyIOVHRZNJPPLJBD-UHFFFAOYSA-N
XLogP2.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]propan-2-amine
CID 102607723
N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102607797
N-[2-cyclohexyloxy-2-(2-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 62106464
(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine
CID 58313669
N-[2-cyclobutyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62381823
N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine
CID 102607807
N-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62106999
3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane
CID 102607696
2-methoxy-2-(2-methoxyphenyl)-N-methylethanamine
CID 53276193
1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 58313619
2-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]oxy]-2-(2-methoxyphenyl)acetic acid
CID 175726239
N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 115669729

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine (CID 102607756) is N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine is COc1ccccc1C(CNC(C)(C)C)OC1COC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is IOVHRZNJPPLJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,3)17-9-15(20-12-10-19-11-12)13-7-5-6-8-14(13)18-4/h5-8,12,15,17H,9-11H2,1-4H3.
What are the key properties of N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine?
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102607756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).