2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride

C17H20ClNO — CID 172756921

IUPAC2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride
SMILESCC(C(=O)c1ccccc1)c1ccc(N(C)C)cc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-13(17(19)15-7-5-4-6-8-15)14-9-11-16(12-10-14)18(2)3;/h4-13H,1-3H3;1H
InChIKeyLDMQHPCLZDCGSA-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.16
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride

2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride (PubChem CID 172756921) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride
PubChem CID172756921
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride
SMILESCC(C(=O)c1ccccc1)c1ccc(N(C)C)cc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-13(17(19)15-7-5-4-6-8-15)14-9-11-16(12-10-14)18(2)3;/h4-13H,1-3H3;1H
InChIKeyLDMQHPCLZDCGSA-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one
CID 135054881
4-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 102174990
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
[(1S)-2-oxo-1,2-diphenylethyl] 4-(dimethylamino)benzoate
CID 1296728
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 172677364
2-bromo-2-[4-(dimethylamino)phenyl]acetic acid
CID 20558335
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
2-[4-(dimethylamino)phenyl]hexan-3-one
CID 83048645
1-(3-methylphenyl)-2-phenylpropan-1-one
CID 13096072
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride (CID 172756921) is 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride is CC(C(=O)c1ccccc1)c1ccc(N(C)C)cc1.Cl.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride?
The InChIKey is LDMQHPCLZDCGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-13(17(19)15-7-5-4-6-8-15)14-9-11-16(12-10-14)18(2)3;/h4-13H,1-3H3;1H.
What are the key properties of 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride?
2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 172756921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).