1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one

C15H23NO — CID 43796143

IUPAC1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one
SMILESCCC(C)CN(C)CC(=O)Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-4-13(2)11-16(3)12-15(17)10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyBOUYRBLMKKXOAA-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.78
Rot. Bonds7

About 1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one

1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one (PubChem CID 43796143) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one
PubChem CID43796143
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one
SMILESCCC(C)CN(C)CC(=O)Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-4-13(2)11-16(3)12-15(17)10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyBOUYRBLMKKXOAA-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
CID 54946725
1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one
CID 43795409
1-[methyl(2-methylsulfonylethyl)amino]-3-phenylpropan-2-one
CID 79850568
1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one
CID 62030901
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 166510435
1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796166
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057
1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
CID 62051873
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
CID 62270476
1,3-diphenyl(213C)propan-2-one
CID 100945080
6-amino-5-methyl-1-phenylhexan-2-one
CID 116607418

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one?
The IUPAC name of 1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one (CID 43796143) is 1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one?
The canonical SMILES for 1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one is CCC(C)CN(C)CC(=O)Cc1ccccc1.
What is the InChIKey of 1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one?
The InChIKey is BOUYRBLMKKXOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-13(2)11-16(3)12-15(17)10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of 1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one?
1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one is sourced from PubChem (CID 43796143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).