acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol

C24H34CuN2O4 — CID 11496596

IUPACacetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
SMILESCC(=O)O.CN(Cc1ccccc1O)[C@H]1CCCC[C@@H]1N(C)Cc1ccccc1O.[Cu]
InChIInChI=1S/C22H30N2O2.C2H4O2.Cu/c1-23(15-17-9-3-7-13-21(17)25)19-11-5-6-12-20(19)24(2)16-18-10-4-8-14-22(18)26;1-2(3)4;/h3-4,7-10,13-14,19-20,25-26H,5-6,11-12,15-16H2,1-2H3;1H3,(H,3,4);/t19-,20-;;/m0../s1
InChIKeyPSRYNJWRBKCSPV-TULUPMBKSA-N
MW478.09 g/mol
LogP4.06
Rot. Bonds6

About acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol

acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol (PubChem CID 11496596) has the molecular formula C24H34CuN2O4 and a molecular weight of 478.09 g/mol. Its IUPAC name is acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol.

Molecular Properties

Compound Nameacetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
PubChem CID11496596
Molecular FormulaC24H34CuN2O4
Molecular Weight478.09 g/mol
Exact Mass477.18
IUPAC Nameacetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
SMILESCC(=O)O.CN(Cc1ccccc1O)[C@H]1CCCC[C@@H]1N(C)Cc1ccccc1O.[Cu]
InChIInChI=1S/C22H30N2O2.C2H4O2.Cu/c1-23(15-17-9-3-7-13-21(17)25)19-11-5-6-12-20(19)24(2)16-18-10-4-8-14-22(18)26;1-2(3)4;/h3-4,7-10,13-14,19-20,25-26H,5-6,11-12,15-16H2,1-2H3;1H3,(H,3,4);/t19-,20-;;/m0../s1
InChIKeyPSRYNJWRBKCSPV-TULUPMBKSA-N
XLogP4.06
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.09
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N,N'-Bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
CID 37336
2-[(4-Benzhydrylpiperazin-1-yl)methyl]phenol;oxalic acid
CID 23724273
Glycine, N,N'-(2-hydroxy-1,3-propanediyl)bis(N-((2-hydroxyphenyl)methyl)-
CID 44589
2-{[3-(2-Hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl}phenol
CID 16189509
2,2'-((Hexane-1,6-diylbis(methylazanediyl))bis(methylene))diphenol oxalate
CID 17065229
2-[(Benzyl-phenethyl-amino)-methyl]-phenol
CID 24746847
OCR inhibitor SM6
CID 10381745
Glycine, N,N'-1,2-ethanediylbis(N-((2-hydroxyphenyl)methyl)-, dimethyl ester
CID 55308
Ferrate(1-), ((N,N'-1,2-ethanediylbis(N-((2-(hydroxy-kappaO)phenyl)methyl)glycinato-kappaN,kappaO))(4-))-, sodium (1:1), (OC-6-13)-
CID 137286741
2-{[3-(2-Hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl}phenol
CID 23723252
2-[[4-[Hydroxy(diphenyl)methyl]piperazin-1-yl]methyl]phenol;oxalic acid
CID 23724290
2-{[4-(2-Hydroxybenzyl)-1-piperazinyl]methyl}phenol
CID 45035495

Frequently Asked Questions

What is the IUPAC name of acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol?
The IUPAC name of acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol (CID 11496596) is acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol.
What is the SMILES notation for acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol?
The canonical SMILES for acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol is CC(=O)O.CN(Cc1ccccc1O)[C@H]1CCCC[C@@H]1N(C)Cc1ccccc1O.[Cu].
What is the InChIKey of acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol?
The InChIKey is PSRYNJWRBKCSPV-TULUPMBKSA-N. The full InChI is InChI=1S/C22H30N2O2.C2H4O2.Cu/c1-23(15-17-9-3-7-13-21(17)25)19-11-5-6-12-20(19)24(2)16-18-10-4-8-14-22(18)26;1-2(3)4;/h3-4,7-10,13-14,19-20,25-26H,5-6,11-12,15-16H2,1-2H3;1H3,(H,3,4);/t19-,20-;;/m0../s1.
What are the key properties of acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol?
acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol has a molecular weight of 478.09 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol is sourced from PubChem (CID 11496596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).