3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one

C14H21NO — CID 117313299

IUPAC3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one
SMILESCCc1ccc(C(C)C)c(C(=O)CCN)c1
InChIInChI=1S/C14H21NO/c1-4-11-5-6-12(10(2)3)13(9-11)14(16)7-8-15/h5-6,9-10H,4,7-8,15H2,1-3H3
InChIKeyDMNDXEXSHAUQRR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one

3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one (PubChem CID 117313299) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one
PubChem CID117313299
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one
SMILESCCc1ccc(C(C)C)c(C(=O)CCN)c1
InChIInChI=1S/C14H21NO/c1-4-11-5-6-12(10(2)3)13(9-11)14(16)7-8-15/h5-6,9-10H,4,7-8,15H2,1-3H3
InChIKeyDMNDXEXSHAUQRR-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-2-propan-2-ylphenyl)ethanone
CID 117281997
3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one
CID 117303820
3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
CID 117432660
3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one
CID 117377360
4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid
CID 117340908
3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
CID 117323328
3-amino-1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)propan-1-one
CID 117392852
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
CID 143022622
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
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2-(2-aminoethyl)-5-ethylbenzoic acid
CID 83853045

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one (CID 117313299) is 3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one is CCc1ccc(C(C)C)c(C(=O)CCN)c1.
What is the InChIKey of 3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one?
The InChIKey is DMNDXEXSHAUQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-11-5-6-12(10(2)3)13(9-11)14(16)7-8-15/h5-6,9-10H,4,7-8,15H2,1-3H3.
What are the key properties of 3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one?
3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 117313299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).