[2-methyl-4-(propylamino)phenyl]-phenylmethanone

C17H19NO — CID 174896949

IUPAC[2-methyl-4-(propylamino)phenyl]-phenylmethanone
SMILESCCCNc1ccc(C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H19NO/c1-3-11-18-15-9-10-16(13(2)12-15)17(19)14-7-5-4-6-8-14/h4-10,12,18H,3,11H2,1-2H3
InChIKeyVOYQJEADURSRHO-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.05
Rot. Bonds5

About [2-methyl-4-(propylamino)phenyl]-phenylmethanone

[2-methyl-4-(propylamino)phenyl]-phenylmethanone (PubChem CID 174896949) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is [2-methyl-4-(propylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-methyl-4-(propylamino)phenyl]-phenylmethanone
PubChem CID174896949
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name[2-methyl-4-(propylamino)phenyl]-phenylmethanone
SMILESCCCNc1ccc(C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H19NO/c1-3-11-18-15-9-10-16(13(2)12-15)17(19)14-7-5-4-6-8-14/h4-10,12,18H,3,11H2,1-2H3
InChIKeyVOYQJEADURSRHO-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-amino-5-(butylamino)phenyl]-phenylmethanone
CID 154388961
2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589959
N-(2-benzoylphenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 8830519
2-methyl-4-(propylamino)-N-pyridazin-3-ylbenzamide
CID 116787892
4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide
CID 142889038
4-(2,2-difluoroethylamino)-2-methylbenzoic acid
CID 115408718
N-(2-ethoxy-2-methylpropyl)-2-methyl-4-(propylamino)benzamide
CID 114944148
2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106339855
2-methyl-4-(3-phenoxypropylamino)benzoic acid
CID 81273769
2-methyl-4-(3,3,3-trifluoropropylamino)benzoic acid
CID 81281565
[4-(propylamino)phenyl] benzoate
CID 82532431
1-[4-(propylamino)phenyl]ethanone
CID 7304598

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(propylamino)phenyl]-phenylmethanone?
The IUPAC name of [2-methyl-4-(propylamino)phenyl]-phenylmethanone (CID 174896949) is [2-methyl-4-(propylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [2-methyl-4-(propylamino)phenyl]-phenylmethanone?
The canonical SMILES for [2-methyl-4-(propylamino)phenyl]-phenylmethanone is CCCNc1ccc(C(=O)c2ccccc2)c(C)c1.
What is the InChIKey of [2-methyl-4-(propylamino)phenyl]-phenylmethanone?
The InChIKey is VOYQJEADURSRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-11-18-15-9-10-16(13(2)12-15)17(19)14-7-5-4-6-8-14/h4-10,12,18H,3,11H2,1-2H3.
What are the key properties of [2-methyl-4-(propylamino)phenyl]-phenylmethanone?
[2-methyl-4-(propylamino)phenyl]-phenylmethanone has a molecular weight of 253.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(propylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 174896949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).