1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone

C17H19NO — CID 116548140

IUPAC1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C17H19NO/c1-12-7-13(2)9-15(8-12)10-17(19)16-5-3-14(11-18)4-6-16/h3-9H,10-11,18H2,1-2H3
InChIKeyGONMWCIRXFWPDW-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.19
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone

1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone (PubChem CID 116548140) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
PubChem CID116548140
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C17H19NO/c1-12-7-13(2)9-15(8-12)10-17(19)16-5-3-14(11-18)4-6-16/h3-9H,10-11,18H2,1-2H3
InChIKeyGONMWCIRXFWPDW-UHFFFAOYSA-N
XLogP3.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone (CID 116548140) is 1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(CC(=O)c2ccc(CN)cc2)c1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone?
The InChIKey is GONMWCIRXFWPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-7-13(2)9-15(8-12)10-17(19)16-5-3-14(11-18)4-6-16/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone?
1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone has a molecular weight of 253.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 116548140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).