2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine

C93H118Br3IN15O6P — CID 159779778

IUPAC2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine
SMILESCC(=O)c1ccc(N(C)C)cc1.CCN(CC)CC.CCOP(O)OCC.CN(C)c1ccc(-c2cn3cc([125I])ccc3n2)cc1.CN(C)c1ccc(C(=O)C(Br)Br)cc1.CN(C)c1ccc(C(=O)CBr)cc1.Cc1ccc(N)nc1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1
InChIInChI=1S/2C16H17N3.C15H14IN3.C10H11Br2NO.C10H12BrNO.C10H13NO.C6H8N2.C6H15N.C4H11O3P/c2*1-12-4-9-16-17-15(11-19(16)10-12)13-5-7-14(8-6-13)18(2)3;1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14;1-13(2)8-5-3-7(4-6-8)9(14)10(11)12;1-12(2)9-5-3-8(4-6-9)10(13)7-11;1-8(12)9-4-6-10(7-5-9)11(2)3;1-5-2-3-6(7)8-4-5;1-4-7(5-2)6-3;1-3-6-8(5)7-4-2/h2*4-11H,1-3H3;3-10H,1-2H3;3-6,10H,1-2H3;3-6H,7H2,1-2H3;4-7H,1-3H3;2-4H,1H3,(H2,7,8);4-6H2,1-3H3;5H,3-4H2,1-2H3/i;;16-2;;;;;;
InChIKeyNHEZUBBPVWRQDJ-PXMQHIJYSA-N
MW1937.66 g/mol
LogP21.36
Rot. Bonds21

About 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine

2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine (PubChem CID 159779778) has the molecular formula C93H118Br3IN15O6P and a molecular weight of 1937.66 g/mol. Its IUPAC name is 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine.

Molecular Properties

Compound Name2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine
PubChem CID159779778
Molecular FormulaC93H118Br3IN15O6P
Molecular Weight1937.66 g/mol
Exact Mass1933.57
IUPAC Name2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine
SMILESCC(=O)c1ccc(N(C)C)cc1.CCN(CC)CC.CCOP(O)OCC.CN(C)c1ccc(-c2cn3cc([125I])ccc3n2)cc1.CN(C)c1ccc(C(=O)C(Br)Br)cc1.CN(C)c1ccc(C(=O)CBr)cc1.Cc1ccc(N)nc1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1
InChIInChI=1S/2C16H17N3.C15H14IN3.C10H11Br2NO.C10H12BrNO.C10H13NO.C6H8N2.C6H15N.C4H11O3P/c2*1-12-4-9-16-17-15(11-19(16)10-12)13-5-7-14(8-6-13)18(2)3;1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14;1-13(2)8-5-3-7(4-6-8)9(14)10(11)12;1-12(2)9-5-3-8(4-6-9)10(13)7-11;1-8(12)9-4-6-10(7-5-9)11(2)3;1-5-2-3-6(7)8-4-5;1-4-7(5-2)6-3;1-3-6-8(5)7-4-2/h2*4-11H,1-3H3;3-10H,1-2H3;3-6,10H,1-2H3;3-6H,7H2,1-2H3;4-7H,1-3H3;2-4H,1H3,(H2,7,8);4-6H2,1-3H3;5H,3-4H2,1-2H3/i;;16-2;;;;;;
InChIKeyNHEZUBBPVWRQDJ-PXMQHIJYSA-N
XLogP21.36
TPSA203.39 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001937.66
LogP ≤ 521.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine?
The IUPAC name of 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine (CID 159779778) is 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine.
What is the SMILES notation for 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine?
The canonical SMILES for 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine is CC(=O)c1ccc(N(C)C)cc1.CCN(CC)CC.CCOP(O)OCC.CN(C)c1ccc(-c2cn3cc([125I])ccc3n2)cc1.CN(C)c1ccc(C(=O)C(Br)Br)cc1.CN(C)c1ccc(C(=O)CBr)cc1.Cc1ccc(N)nc1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.
What is the InChIKey of 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine?
The InChIKey is NHEZUBBPVWRQDJ-PXMQHIJYSA-N. The full InChI is InChI=1S/2C16H17N3.C15H14IN3.C10H11Br2NO.C10H12BrNO.C10H13NO.C6H8N2.C6H15N.C4H11O3P/c2*1-12-4-9-16-17-15(11-19(16)10-12)13-5-7-14(8-6-13)18(2)3;1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14;1-13(2)8-5-3-7(4-6-8)9(14)10(11)12;1-12(2)9-5-3-8(4-6-9)10(13)7-11;1-8(12)9-4-6-10(7-5-9)11(2)3;1-5-2-3-6(7)8-4-5;1-4-7(5-2)6-3;1-3-6-8(5)7-4-2/h2*4-11H,1-3H3;3-10H,1-2H3;3-6,10H,1-2H3;3-6H,7H2,1-2H3;4-7H,1-3H3;2-4H,1H3,(H2,7,8);4-6H2,1-3H3;5H,3-4H2,1-2H3/i;;16-2;;;;;;.
What are the key properties of 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine?
2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine has a molecular weight of 1937.66 g/mol, XLogP of 21.36, 21 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine is sourced from PubChem (CID 159779778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).