3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one

C14H19NO3 — CID 117376258

IUPAC3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one
SMILESCC1(COc2ccc(C(=O)CCN)cc2)COC1
InChIInChI=1S/C14H19NO3/c1-14(8-17-9-14)10-18-12-4-2-11(3-5-12)13(16)6-7-15/h2-5H,6-10,15H2,1H3
InChIKeyATZLBYJIPUFUGG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds6

About 3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one

3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one (PubChem CID 117376258) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one
PubChem CID117376258
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one
SMILESCC1(COc2ccc(C(=O)CCN)cc2)COC1
InChIInChI=1S/C14H19NO3/c1-14(8-17-9-14)10-18-12-4-2-11(3-5-12)13(16)6-7-15/h2-5H,6-10,15H2,1H3
InChIKeyATZLBYJIPUFUGG-UHFFFAOYSA-N
XLogP1.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one
CID 117376257
3-amino-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propanoic acid
CID 117417206
[3-[(3-methyloxetan-3-yl)methoxy]-4-[4-[(3-methyloxetan-3-yl)methoxy]benzoyl]oxyphenyl] 4-[(3-methyloxetan-3-yl)methoxy]benzoate
CID 129197744
3-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341495
2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol
CID 84699476
3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 84792637
(3-ethyloxetan-3-yl)methanol;3-methyl-3-(phenoxymethyl)oxetane
CID 160629568
3-amino-4-[(3-methyloxetan-3-yl)methoxy]benzoic acid
CID 84699964
[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl] 4-[(3-methyloxetan-3-yl)methoxy]benzoate
CID 59767555
[6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate
CID 89177624
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-phenylmethanone
CID 90438012

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one (CID 117376258) is 3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one is CC1(COc2ccc(C(=O)CCN)cc2)COC1.
What is the InChIKey of 3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one?
The InChIKey is ATZLBYJIPUFUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(8-17-9-14)10-18-12-4-2-11(3-5-12)13(16)6-7-15/h2-5H,6-10,15H2,1H3.
What are the key properties of 3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one?
3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 117376258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).