1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one

C18H21NO2 — CID 116577352

IUPAC1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccccc2CCN)cc1
InChIInChI=1S/C18H21NO2/c1-21-16-9-6-14(7-10-16)8-11-18(20)17-5-3-2-4-15(17)12-13-19/h2-7,9-10H,8,11-13,19H2,1H3
InChIKeyITZJHKOJQSYMKP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.01
Rot. Bonds7

About 1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one

1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one (PubChem CID 116577352) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one
PubChem CID116577352
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccccc2CCN)cc1
InChIInChI=1S/C18H21NO2/c1-21-16-9-6-14(7-10-16)8-11-18(20)17-5-3-2-4-15(17)12-13-19/h2-7,9-10H,8,11-13,19H2,1H3
InChIKeyITZJHKOJQSYMKP-UHFFFAOYSA-N
XLogP3.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371
1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one
CID 116577339
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one
CID 148644634
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585377
3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116605558
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
CID 14946047

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one (CID 116577352) is 1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2ccccc2CCN)cc1.
What is the InChIKey of 1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is ITZJHKOJQSYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-16-9-6-14(7-10-16)8-11-18(20)17-5-3-2-4-15(17)12-13-19/h2-7,9-10H,8,11-13,19H2,1H3.
What are the key properties of 1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one?
1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 116577352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).