[4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine

C22H23I2NO — CID 162077340

IUPAC[4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine
SMILESCc1ccc2c(C(=O)c3ccc(CN(C)C)cc3)c(C)ccc2c1.II
InChIInChI=1S/C22H23NO.I2/c1-15-5-12-20-19(13-15)9-6-16(2)21(20)22(24)18-10-7-17(8-11-18)14-23(3)4;1-2/h5-13H,14H2,1-4H3;
InChIKeyZBWMHDYUFIQRBX-UHFFFAOYSA-N
MW571.24 g/mol
LogP6.52
Rot. Bonds4

About [4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine

[4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine (PubChem CID 162077340) has the molecular formula C22H23I2NO and a molecular weight of 571.24 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine
PubChem CID162077340
Molecular FormulaC22H23I2NO
Molecular Weight571.24 g/mol
Exact Mass570.99
IUPAC Name[4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine
SMILESCc1ccc2c(C(=O)c3ccc(CN(C)C)cc3)c(C)ccc2c1.II
InChIInChI=1S/C22H23NO.I2/c1-15-5-12-20-19(13-15)9-6-16(2)21(20)22(24)18-10-7-17(8-11-18)14-23(3)4;1-2/h5-13H,14H2,1-4H3;
InChIKeyZBWMHDYUFIQRBX-UHFFFAOYSA-N
XLogP6.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.24
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone
CID 125472731
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]benzoic acid
CID 61481680
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one
CID 19043759
2-chloro-N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115162099
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]-2-oxoacetamide
CID 115166473
2-ethyl-7-methylphenanthrene
CID 59758331

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine (CID 162077340) is [4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine is Cc1ccc2c(C(=O)c3ccc(CN(C)C)cc3)c(C)ccc2c1.II.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine?
The InChIKey is ZBWMHDYUFIQRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO.I2/c1-15-5-12-20-19(13-15)9-6-16(2)21(20)22(24)18-10-7-17(8-11-18)14-23(3)4;1-2/h5-13H,14H2,1-4H3;.
What are the key properties of [4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine?
[4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine has a molecular weight of 571.24 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine is sourced from PubChem (CID 162077340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).