2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one

C14H21NO2 — CID 112512226

IUPAC2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one
SMILESCCNC(C(=O)c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-5-15-13(10(2)3)14(16)11-6-8-12(17-4)9-7-11/h6-10,13,15H,5H2,1-4H3
InChIKeyBZYQRFBWHKOPGQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.51
Rot. Bonds6

About 2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one

2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one (PubChem CID 112512226) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one
PubChem CID112512226
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one
SMILESCCNC(C(=O)c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-5-15-13(10(2)3)14(16)11-6-8-12(17-4)9-7-11/h6-10,13,15H,5H2,1-4H3
InChIKeyBZYQRFBWHKOPGQ-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
2-(ethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 138739949
1-(4-ethoxyphenyl)-3-methyl-2-(methylamino)butan-1-one
CID 112512233
4-(4-methoxyphenyl)-3-(2-methylpropylamino)-4-oxobutanoic acid
CID 82322512
2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one?
The IUPAC name of 2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one (CID 112512226) is 2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one is CCNC(C(=O)c1ccc(OC)cc1)C(C)C.
What is the InChIKey of 2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one?
The InChIKey is BZYQRFBWHKOPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15-13(10(2)3)14(16)11-6-8-12(17-4)9-7-11/h6-10,13,15H,5H2,1-4H3.
What are the key properties of 2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one?
2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 112512226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).