1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone

C17H19NO2 — CID 116577781

IUPAC1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C17H19NO2/c1-20-17-5-3-2-4-15(17)12-16(19)14-8-6-13(7-9-14)10-11-18/h2-9H,10-12,18H2,1H3
InChIKeyKNASHRLLSYUZMV-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.62
Rot. Bonds6

About 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone

1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone (PubChem CID 116577781) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
PubChem CID116577781
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C17H19NO2/c1-20-17-5-3-2-4-15(17)12-16(19)14-8-6-13(7-9-14)10-11-18/h2-9H,10-12,18H2,1H3
InChIKeyKNASHRLLSYUZMV-UHFFFAOYSA-N
XLogP2.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.62
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-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116577590
1-[4-(2-aminoethyl)phenyl]-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116577782
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
CID 61079159
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
CID 116577788
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116548317
2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone
CID 105082938
2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543131
2-[4-(2-methoxyphenoxy)phenyl]ethanamine
CID 20986924

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone (CID 116577781) is 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1ccc(CCN)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is KNASHRLLSYUZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17-5-3-2-4-15(17)12-16(19)14-8-6-13(7-9-14)10-11-18/h2-9H,10-12,18H2,1H3.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone?
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 269.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 116577781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).