1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one

C19H21Cl2NO2 — CID 70587661

IUPAC1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one
SMILESCC(CN(C)C)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-13(11-22(2)3)19(23)14-5-8-17(9-6-14)24-12-15-4-7-16(20)10-18(15)21/h4-10,13H,11-12H2,1-3H3
InChIKeyMTFUQWVNXUHRLT-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.95
Rot. Bonds7

About 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one

1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one (PubChem CID 70587661) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one
PubChem CID70587661
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one
SMILESCC(CN(C)C)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-13(11-22(2)3)19(23)14-5-8-17(9-6-14)24-12-15-4-7-16(20)10-18(15)21/h4-10,13H,11-12H2,1-3H3
InChIKeyMTFUQWVNXUHRLT-UHFFFAOYSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 132591174
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720070
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
4-chloro-N-[1-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 3599501
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061552
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210398

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one (CID 70587661) is 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one is CC(CN(C)C)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one?
The InChIKey is MTFUQWVNXUHRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-13(11-22(2)3)19(23)14-5-8-17(9-6-14)24-12-15-4-7-16(20)10-18(15)21/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one?
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one has a molecular weight of 366.29 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 70587661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).