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

C14H19NO3 — CID 117376257

IUPAC3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one
SMILESCC1(COc2cccc(C(=O)CCN)c2)COC1
InChIInChI=1S/C14H19NO3/c1-14(8-17-9-14)10-18-12-4-2-3-11(7-12)13(16)5-6-15/h2-4,7H,5-6,8-10,15H2,1H3
InChIKeyDLFJOJDCXQVXGF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds6

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

3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one (PubChem CID 117376257) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one
PubChem CID117376257
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one
SMILESCC1(COc2cccc(C(=O)CCN)c2)COC1
InChIInChI=1S/C14H19NO3/c1-14(8-17-9-14)10-18-12-4-2-3-11(7-12)13(16)5-6-15/h2-4,7H,5-6,8-10,15H2,1H3
InChIKeyDLFJOJDCXQVXGF-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-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one
CID 117376258
N-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 165130586
1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one
CID 69097313
1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one
CID 136556774
3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one
CID 168838033
5-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91205394
3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467164
N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide
CID 45220553
methyl 3-[[2,5-dihydroxy-5-[(3-methoxycarbonylphenoxy)methyl]-1,4-dioxan-2-yl]methoxy]benzoate
CID 67115136
1-methyl-5-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazole-3-carboxylic acid
CID 117487067
3-amino-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propanoic acid
CID 117417206
6-amino-1-(3-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574825

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one (CID 117376257) is 3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one is CC1(COc2cccc(C(=O)CCN)c2)COC1.
What is the InChIKey of 3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one?
The InChIKey is DLFJOJDCXQVXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(8-17-9-14)10-18-12-4-2-3-11(7-12)13(16)5-6-15/h2-4,7H,5-6,8-10,15H2,1H3.
What are the key properties of 3-amino-1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one?
3-amino-1-[3-[(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-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 117376257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).