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

C18H23ClN2O — CID 172677364

IUPAC2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride
SMILESCC(NCc1ccccc1)C(=O)c1ccc(N(C)C)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-14(19-13-15-7-5-4-6-8-15)18(21)16-9-11-17(12-10-16)20(2)3;/h4-12,14,19H,13H2,1-3H3;1H
InChIKeyZZKFMUUAYFFYDU-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.54
Rot. Bonds6

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

2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride (PubChem CID 172677364) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride
PubChem CID172677364
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride
SMILESCC(NCc1ccccc1)C(=O)c1ccc(N(C)C)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-14(19-13-15-7-5-4-6-8-15)18(21)16-9-11-17(12-10-16)20(2)3;/h4-12,14,19H,13H2,1-3H3;1H
InChIKeyZZKFMUUAYFFYDU-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 155254846
2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447
2-(benzylamino)-1-(4-methylsulfanylphenyl)propan-1-one;hydrochloride
CID 165361609
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
CID 60571690
1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
CID 83971810
2-(dimethylamino)-1-[4-(dimethylamino)phenyl]-3-phenylpropan-1-one
CID 67723970
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride
CID 172756921
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
CID 82100240

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride?
The IUPAC name of 2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride (CID 172677364) is 2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride?
The canonical SMILES for 2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride is CC(NCc1ccccc1)C(=O)c1ccc(N(C)C)cc1.Cl.
What is the InChIKey of 2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride?
The InChIKey is ZZKFMUUAYFFYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-14(19-13-15-7-5-4-6-8-15)18(21)16-9-11-17(12-10-16)20(2)3;/h4-12,14,19H,13H2,1-3H3;1H.
What are the key properties of 2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride?
2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 172677364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).