2-(benzylamino)-1-(4-methylphenyl)propan-1-one

C17H19NO — CID 57493771

IUPAC2-(benzylamino)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)NCc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-13-8-10-16(11-9-13)17(19)14(2)18-12-15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3
InChIKeyKWHZRPBDEAQYDE-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.36
Rot. Bonds5

About 2-(benzylamino)-1-(4-methylphenyl)propan-1-one

2-(benzylamino)-1-(4-methylphenyl)propan-1-one (PubChem CID 57493771) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(benzylamino)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(benzylamino)-1-(4-methylphenyl)propan-1-one
PubChem CID57493771
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-(benzylamino)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)NCc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-13-8-10-16(11-9-13)17(19)14(2)18-12-15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3
InChIKeyKWHZRPBDEAQYDE-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(benzylamino)-1-(4-methylphenyl)propan-1-one (CID 57493771) is 2-(benzylamino)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(benzylamino)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(benzylamino)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)NCc2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-1-(4-methylphenyl)propan-1-one?
The InChIKey is KWHZRPBDEAQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-8-10-16(11-9-13)17(19)14(2)18-12-15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3.
What are the key properties of 2-(benzylamino)-1-(4-methylphenyl)propan-1-one?
2-(benzylamino)-1-(4-methylphenyl)propan-1-one has a molecular weight of 253.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 57493771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).