1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one

C14H21NO — CID 58256831

IUPAC1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one
SMILESCN(C)Cc1cccc(C(=O)C(C)(C)C)c1
InChIInChI=1S/C14H21NO/c1-14(2,3)13(16)12-8-6-7-11(9-12)10-15(4)5/h6-9H,10H2,1-5H3
InChIKeyYXDXZZHOHDWVGH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds3

About 1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one

1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one (PubChem CID 58256831) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one
PubChem CID58256831
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one
SMILESCN(C)Cc1cccc(C(=O)C(C)(C)C)c1
InChIInChI=1S/C14H21NO/c1-14(2,3)13(16)12-8-6-7-11(9-12)10-15(4)5/h6-9H,10H2,1-5H3
InChIKeyYXDXZZHOHDWVGH-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907
4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357228
3-[[2-(dimethylamino)ethyl-methylamino]methyl]benzoic acid
CID 63695430
methylaminomethyl 3-[(dimethylamino)methyl]benzoate
CID 166955135
3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide
CID 131941645
3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 74242906
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
CID 119641082
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide
CID 74246309
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one (CID 58256831) is 1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one is CN(C)Cc1cccc(C(=O)C(C)(C)C)c1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is YXDXZZHOHDWVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)13(16)12-8-6-7-11(9-12)10-15(4)5/h6-9H,10H2,1-5H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one?
1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58256831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).