N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine

C16H25NO2 — CID 102606080

IUPACN-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(OC1COC1)C(C)C
InChIInChI=1S/C16H25NO2/c1-4-17-15(13-8-6-5-7-9-13)16(12(2)3)19-14-10-18-11-14/h5-9,12,14-17H,4,10-11H2,1-3H3
InChIKeyONVIYGGVNYLZGD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds7

About N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine

N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine (PubChem CID 102606080) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine
PubChem CID102606080
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(OC1COC1)C(C)C
InChIInChI=1S/C16H25NO2/c1-4-17-15(13-8-6-5-7-9-13)16(12(2)3)19-14-10-18-11-14/h5-9,12,14-17H,4,10-11H2,1-3H3
InChIKeyONVIYGGVNYLZGD-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine
CID 63473474
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 106200667
N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
CID 79333225
N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 115669729
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
N-ethyl-3-(4-methoxypiperidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618390
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534
2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine
CID 63466911
1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine
CID 63727332

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine (CID 102606080) is N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine is CCNC(c1ccccc1)C(OC1COC1)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine?
The InChIKey is ONVIYGGVNYLZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-15(13-8-6-5-7-9-13)16(12(2)3)19-14-10-18-11-14/h5-9,12,14-17H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine?
N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine is sourced from PubChem (CID 102606080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).