2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone

C12H17NO2 — CID 83820236

IUPAC2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
SMILESCC(C)(C)Oc1cccc(C(=O)CN)c1
InChIInChI=1S/C12H17NO2/c1-12(2,3)15-10-6-4-5-9(7-10)11(14)8-13/h4-7H,8,13H2,1-3H3
InChIKeySGYFEKLGGGMDAP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.01
Rot. Bonds3

About 2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone

2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone (PubChem CID 83820236) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
PubChem CID83820236
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
SMILESCC(C)(C)Oc1cccc(C(=O)CN)c1
InChIInChI=1S/C12H17NO2/c1-12(2,3)15-10-6-4-5-9(7-10)11(14)8-13/h4-7H,8,13H2,1-3H3
InChIKeySGYFEKLGGGMDAP-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70628823
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
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[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
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2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone
CID 105120452
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone?
The IUPAC name of 2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone (CID 83820236) is 2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone?
The canonical SMILES for 2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone is CC(C)(C)Oc1cccc(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone?
The InChIKey is SGYFEKLGGGMDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)15-10-6-4-5-9(7-10)11(14)8-13/h4-7H,8,13H2,1-3H3.
What are the key properties of 2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone?
2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone is sourced from PubChem (CID 83820236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).