3-amino-2-methyl-1-(4-propylphenyl)butan-1-one

C14H21NO — CID 116612122

IUPAC3-amino-2-methyl-1-(4-propylphenyl)butan-1-one
SMILESCCCc1ccc(C(=O)C(C)C(C)N)cc1
InChIInChI=1S/C14H21NO/c1-4-5-12-6-8-13(9-7-12)14(16)10(2)11(3)15/h6-11H,4-5,15H2,1-3H3
InChIKeyOXAYTMGKKDQCJF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.81
Rot. Bonds5

About 3-amino-2-methyl-1-(4-propylphenyl)butan-1-one

3-amino-2-methyl-1-(4-propylphenyl)butan-1-one (PubChem CID 116612122) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(4-propylphenyl)butan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(4-propylphenyl)butan-1-one
PubChem CID116612122
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-amino-2-methyl-1-(4-propylphenyl)butan-1-one
SMILESCCCc1ccc(C(=O)C(C)C(C)N)cc1
InChIInChI=1S/C14H21NO/c1-4-5-12-6-8-13(9-7-12)14(16)10(2)11(3)15/h6-11H,4-5,15H2,1-3H3
InChIKeyOXAYTMGKKDQCJF-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one
CID 116920613
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen
CID 156886026
2,2-dimethoxy-1-(4-propylphenyl)ethanone
CID 79493319
ethane;4-propylbenzoic acid
CID 91047964
2-methyl-1-(4-octadecylphenyl)propan-1-one
CID 14770317
bis(4-propylbenzoyl) 2,4-dimethylpentanedioate
CID 172743150
cadmium(2+);bis(4-propylbenzoate)
CID 101299923
ethyl 2-acetyl-4-[4-(5-acetyloxypentyl)phenyl]-3-methyl-4-oxobutanoate
CID 23583246
(2S)-2-amino-1-[4-(bromomethyl)phenyl]propan-1-one;hydrochloride
CID 155254847
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
[3-methyl-4-(4-propylbenzoyl)oxypentan-2-yl] 4-propylbenzoate
CID 66727918

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(4-propylphenyl)butan-1-one?
The IUPAC name of 3-amino-2-methyl-1-(4-propylphenyl)butan-1-one (CID 116612122) is 3-amino-2-methyl-1-(4-propylphenyl)butan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(4-propylphenyl)butan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(4-propylphenyl)butan-1-one is CCCc1ccc(C(=O)C(C)C(C)N)cc1.
What is the InChIKey of 3-amino-2-methyl-1-(4-propylphenyl)butan-1-one?
The InChIKey is OXAYTMGKKDQCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-5-12-6-8-13(9-7-12)14(16)10(2)11(3)15/h6-11H,4-5,15H2,1-3H3.
What are the key properties of 3-amino-2-methyl-1-(4-propylphenyl)butan-1-one?
3-amino-2-methyl-1-(4-propylphenyl)butan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(4-propylphenyl)butan-1-one is sourced from PubChem (CID 116612122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).