3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride

C17H20ClNO — CID 3034159

IUPAC3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride
SMILESCN(CCC(=O)c1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16;/h2-11H,12-14H2,1H3;1H
InChIKeyUQMCPHGYLMSEPN-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.81
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride

3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride (PubChem CID 3034159) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride
PubChem CID3034159
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride
SMILESCN(CCC(=O)c1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16;/h2-11H,12-14H2,1H3;1H
InChIKeyUQMCPHGYLMSEPN-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride (CID 3034159) is 3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride is CN(CCC(=O)c1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride?
The InChIKey is UQMCPHGYLMSEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16;/h2-11H,12-14H2,1H3;1H.
What are the key properties of 3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride?
3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 3034159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).