3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one

C15H23NO2 — CID 117377360

IUPAC3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one
SMILESCCc1ccc(C(C)C)c(C(=O)CCN)c1OC
InChIInChI=1S/C15H23NO2/c1-5-11-6-7-12(10(2)3)14(15(11)18-4)13(17)8-9-16/h6-7,10H,5,8-9,16H2,1-4H3
InChIKeyFEFBCLKXEZEXNE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds6

About 3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one

3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one (PubChem CID 117377360) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one
PubChem CID117377360
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one
SMILESCCc1ccc(C(C)C)c(C(=O)CCN)c1OC
InChIInChI=1S/C15H23NO2/c1-5-11-6-7-12(10(2)3)14(15(11)18-4)13(17)8-9-16/h6-7,10H,5,8-9,16H2,1-4H3
InChIKeyFEFBCLKXEZEXNE-UHFFFAOYSA-N
XLogP2.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one
CID 117313299
3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one
CID 117331388
1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene
CID 176934964
3-ethyl-2-methoxy-6-propan-2-ylbenzonitrile
CID 117291786
[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117408717
1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117374425
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
1-(3-ethyl-2-methoxyphenyl)ethanol
CID 84657475
3-amino-2-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117319647
(2-ethoxycarbonyl-4-ethyl-3-methoxyphenyl)-phenylmethanesulfonic acid
CID 174667042
3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid
CID 117469299

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one (CID 117377360) is 3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one is CCc1ccc(C(C)C)c(C(=O)CCN)c1OC.
What is the InChIKey of 3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one?
The InChIKey is FEFBCLKXEZEXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-11-6-7-12(10(2)3)14(15(11)18-4)13(17)8-9-16/h6-7,10H,5,8-9,16H2,1-4H3.
What are the key properties of 3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one?
3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one has a molecular weight of 249.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 117377360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).