2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride

C25H28ClNO — CID 18767264

IUPAC2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride
SMILESCc1ccc(C(c2ccccc2)C(CN(C)C)C(=O)c2ccccc2)cc1.Cl
InChIInChI=1S/C25H27NO.ClH/c1-19-14-16-21(17-15-19)24(20-10-6-4-7-11-20)23(18-26(2)3)25(27)22-12-8-5-9-13-22;/h4-17,23-24H,18H2,1-3H3;1H
InChIKeyDNGBXPNUYXPKAB-UHFFFAOYSA-N
MW393.96 g/mol
LogP5.61
Rot. Bonds7

About 2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride

2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride (PubChem CID 18767264) has the molecular formula C25H28ClNO and a molecular weight of 393.96 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride
PubChem CID18767264
Molecular FormulaC25H28ClNO
Molecular Weight393.96 g/mol
Exact Mass393.19
IUPAC Name2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride
SMILESCc1ccc(C(c2ccccc2)C(CN(C)C)C(=O)c2ccccc2)cc1.Cl
InChIInChI=1S/C25H27NO.ClH/c1-19-14-16-21(17-15-19)24(20-10-6-4-7-11-20)23(18-26(2)3)25(27)22-12-8-5-9-13-22;/h4-17,23-24H,18H2,1-3H3;1H
InChIKeyDNGBXPNUYXPKAB-UHFFFAOYSA-N
XLogP5.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
2-bromo-3-(dimethylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 86276459
2-(4-methylphenyl)-1-phenylpentan-1-one
CID 134967757
2,4-bis(4-methylphenyl)-1,1,5,5-tetraphenylpentan-3-one
CID 174794118
(2R,3R)-1-(4-methylphenyl)-2,3-diphenylpentane-1,4-dione
CID 131847928
2,3-dibromo-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 11974529
(2S,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylmethyl]-1-phenylbutan-1-one
CID 100989865
2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
N,N-dimethyl-1-(4-methylphenyl)-1-phenylmethanamine
CID 102196523
N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide
CID 91054783
(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
CID 14448660
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride (CID 18767264) is 2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride is Cc1ccc(C(c2ccccc2)C(CN(C)C)C(=O)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride?
The InChIKey is DNGBXPNUYXPKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO.ClH/c1-19-14-16-21(17-15-19)24(20-10-6-4-7-11-20)23(18-26(2)3)25(27)22-12-8-5-9-13-22;/h4-17,23-24H,18H2,1-3H3;1H.
What are the key properties of 2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride?
2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1,3-diphenylpropan-1-one;hydrochloride is sourced from PubChem (CID 18767264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).