1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone

C12H17NO2 — CID 116577603

IUPAC1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone
SMILESCCOCC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C12H17NO2/c1-2-15-9-12(14)11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3
InChIKeyRMNDLWCZTLKMNF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.41
Rot. Bonds6

About 1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone

1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone (PubChem CID 116577603) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone
PubChem CID116577603
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone
SMILESCCOCC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C12H17NO2/c1-2-15-9-12(14)11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3
InChIKeyRMNDLWCZTLKMNF-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone
CID 116590820
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
4-(2-aminoethyl)phenol;2-ethoxyethanamine
CID 70105450
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
CID 116577781
N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide
CID 58427329
4-(2-aminoethyl)benzoic acid;hydron;chloride
CID 56844303
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide
CID 21290714
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone (CID 116577603) is 1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone is CCOCC(=O)c1ccc(CCN)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone?
The InChIKey is RMNDLWCZTLKMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-15-9-12(14)11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone?
1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone has a molecular weight of 207.27 g/mol, XLogP of 1.41, 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-ethoxyethanone is sourced from PubChem (CID 116577603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).