bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone

C36H44N4O2 — CID 159995939

IUPACbis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
SMILESCCN(C)c1ccc(C(=O)c2ccc(N(C)CC)cc2)cc1.CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O.C17H20N2O/c1-5-20(3)17-11-7-15(8-12-17)19(22)16-9-13-18(14-10-16)21(4)6-2;1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h7-14H,5-6H2,1-4H3;5-12H,1-4H3
InChIKeyOHNQVMPAHBDEQT-UHFFFAOYSA-N
MW564.77 g/mol
LogP6.88
Rot. Bonds10

About bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone

bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone (PubChem CID 159995939) has the molecular formula C36H44N4O2 and a molecular weight of 564.77 g/mol. Its IUPAC name is bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone.

Molecular Properties

Compound Namebis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
PubChem CID159995939
Molecular FormulaC36H44N4O2
Molecular Weight564.77 g/mol
Exact Mass564.35
IUPAC Namebis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
SMILESCCN(C)c1ccc(C(=O)c2ccc(N(C)CC)cc2)cc1.CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O.C17H20N2O/c1-5-20(3)17-11-7-15(8-12-17)19(22)16-9-13-18(14-10-16)21(4)6-2;1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h7-14H,5-6H2,1-4H3;5-12H,1-4H3
InChIKeyOHNQVMPAHBDEQT-UHFFFAOYSA-N
XLogP6.88
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
CID 3287675
4-(dimethylamino)benzoic acid;ethanamine
CID 159433676
1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
CID 161487029
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
CID 154595634
CID 154595634

Frequently Asked Questions

What is the IUPAC name of bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone?
The IUPAC name of bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone (CID 159995939) is bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone.
What is the SMILES notation for bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone?
The canonical SMILES for bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone is CCN(C)c1ccc(C(=O)c2ccc(N(C)CC)cc2)cc1.CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone?
The InChIKey is OHNQVMPAHBDEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.C17H20N2O/c1-5-20(3)17-11-7-15(8-12-17)19(22)16-9-13-18(14-10-16)21(4)6-2;1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h7-14H,5-6H2,1-4H3;5-12H,1-4H3.
What are the key properties of bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone?
bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone has a molecular weight of 564.77 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone is sourced from PubChem (CID 159995939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).