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

C18H21NO2 — CID 116577757

IUPAC1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C18H21NO2/c1-13-3-8-18(21-2)16(11-13)12-17(20)15-6-4-14(5-7-15)9-10-19/h3-8,11H,9-10,12,19H2,1-2H3
InChIKeyAASWMQMHBKWUDO-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.93
Rot. Bonds6

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

1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 116577757) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID116577757
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C18H21NO2/c1-13-3-8-18(21-2)16(11-13)12-17(20)15-6-4-14(5-7-15)9-10-19/h3-8,11H,9-10,12,19H2,1-2H3
InChIKeyAASWMQMHBKWUDO-UHFFFAOYSA-N
XLogP2.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116548317
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-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
CID 116577781
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
CID 58400732
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-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965738
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116613084
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79522962

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone (CID 116577757) is 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)c1ccc(CCN)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is AASWMQMHBKWUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-3-8-18(21-2)16(11-13)12-17(20)15-6-4-14(5-7-15)9-10-19/h3-8,11H,9-10,12,19H2,1-2H3.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone?
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone has a molecular weight of 283.37 g/mol, XLogP of 2.93, 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-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 116577757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).