1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone

C17H19NO2 — CID 116548317

IUPAC1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1ccc(CN)cc1
InChIInChI=1S/C17H19NO2/c1-12-3-8-17(20-2)15(9-12)10-16(19)14-6-4-13(11-18)5-7-14/h3-9H,10-11,18H2,1-2H3
InChIKeyJFCGPVMETNYDCR-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone

1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 116548317) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID116548317
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1ccc(CN)cc1
InChIInChI=1S/C17H19NO2/c1-12-3-8-17(20-2)15(9-12)10-16(19)14-6-4-13(11-18)5-7-14/h3-9H,10-11,18H2,1-2H3
InChIKeyJFCGPVMETNYDCR-UHFFFAOYSA-N
XLogP2.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116577757
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
CID 58400732
1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116577590
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105085291
(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 27205283
1-[4-(2-aminoethyl)phenyl]-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116577782
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965738
1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
CID 116548140
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116613084

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone (CID 116548317) is 1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is JFCGPVMETNYDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-3-8-17(20-2)15(9-12)10-16(19)14-6-4-13(11-18)5-7-14/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone?
1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone has a molecular weight of 269.34 g/mol, XLogP of 2.89, 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-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 116548317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).