1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone

C12H17NO2 — CID 116548190

IUPAC1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H17NO2/c1-9(2)15-8-12(14)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3
InChIKeyMPJIPOKSCYYTAO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.75
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone

1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone (PubChem CID 116548190) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone
PubChem CID116548190
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H17NO2/c1-9(2)15-8-12(14)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3
InChIKeyMPJIPOKSCYYTAO-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
CID 115019757
2-butan-2-yloxy-1-(4-ethylphenyl)ethanone
CID 60904693
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105131775
1-[4-(aminomethyl)phenyl]-3-ethylpentan-1-one
CID 116548283
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone
CID 115785051
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
1-[4-(aminomethyl)phenyl]-2-methyl-3-phenylpropane-1,3-dione
CID 150157788

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone (CID 116548190) is 1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone?
The InChIKey is MPJIPOKSCYYTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)15-8-12(14)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone?
1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone has a molecular weight of 207.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 116548190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).