2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one

C14H21NO — CID 116592692

IUPAC2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one
SMILESCCC(N)(CC)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO/c1-5-14(15,6-2)13(16)12-8-7-10(3)11(4)9-12/h7-9H,5-6,15H2,1-4H3
InChIKeyJJINHDNMPGQMSG-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.00
Rot. Bonds4

About 2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one

2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one (PubChem CID 116592692) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one
PubChem CID116592692
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one
SMILESCCC(N)(CC)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO/c1-5-14(15,6-2)13(16)12-8-7-10(3)11(4)9-12/h7-9H,5-6,15H2,1-4H3
InChIKeyJJINHDNMPGQMSG-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one
CID 103446937
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
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CID 91636142
1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800582
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylbutan-1-one
CID 116592719
4-[(2-amino-2-ethylbutanoyl)amino]-3-methylbenzoic acid
CID 79810418
1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
CID 135086680
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
1-(3,4-dimethylphenyl)-3-ethoxypropan-1-one
CID 105093547
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
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4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one?
The IUPAC name of 2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one (CID 116592692) is 2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one is CCC(N)(CC)C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one?
The InChIKey is JJINHDNMPGQMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-14(15,6-2)13(16)12-8-7-10(3)11(4)9-12/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one?
2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one has a molecular weight of 219.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one is sourced from PubChem (CID 116592692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).