bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol

C121H167N5O7 — CID 159181687

IUPACbis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol
SMILESCc1ccc(CN(C)CC(C)C2CCCC(Oc3cccc(C)c3)C2)cc1.Cc1ccc(CN(C)CC(C)C2CCCC(Oc3cccc(C)c3)C2)cc1.Cc1ccc(CNCC(C)C2CCCC(Oc3cccc(C)c3)C2)cc1.Cc1cccc(OC2CCCC(C(C)CN(C)Cc3cccc(O)c3)C2)c1.Cc1cccc(OC2CCCC(C(C)CNCc3ccccc3O)C2)c1
InChIInChI=1S/2C25H35NO.C24H33NO2.C24H33NO.C23H31NO2/c2*1-19-11-13-22(14-12-19)18-26(4)17-21(3)23-8-6-10-25(16-23)27-24-9-5-7-20(2)15-24;1-18-7-4-11-23(13-18)27-24-12-6-9-21(15-24)19(2)16-25(3)17-20-8-5-10-22(26)14-20;1-18-10-12-21(13-11-18)17-25-16-20(3)22-7-5-9-24(15-22)26-23-8-4-6-19(2)14-23;1-17-7-5-10-21(13-17)26-22-11-6-9-19(14-22)18(2)15-24-16-20-8-3-4-12-23(20)25/h2*5,7,9,11-15,21,23,25H,6,8,10,16-18H2,1-4H3;4-5,7-8,10-11,13-14,19,21,24,26H,6,9,12,15-17H2,1-3H3;4,6,8,10-14,20,22,24-25H,5,7,9,15-17H2,1-3H3;3-5,7-8,10,12-13,18-19,22,24-25H,6,9,11,14-16H2,1-2H3
InChIKeyKMYXTILISAKWRJ-UHFFFAOYSA-N
MW1803.69 g/mol
LogP28.16
Rot. Bonds35

About bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol

bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol (PubChem CID 159181687) has the molecular formula C121H167N5O7 and a molecular weight of 1803.69 g/mol. Its IUPAC name is bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol.

Molecular Properties

Compound Namebis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol
PubChem CID159181687
Molecular FormulaC121H167N5O7
Molecular Weight1803.69 g/mol
Exact Mass1802.29
IUPAC Namebis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol
SMILESCc1ccc(CN(C)CC(C)C2CCCC(Oc3cccc(C)c3)C2)cc1.Cc1ccc(CN(C)CC(C)C2CCCC(Oc3cccc(C)c3)C2)cc1.Cc1ccc(CNCC(C)C2CCCC(Oc3cccc(C)c3)C2)cc1.Cc1cccc(OC2CCCC(C(C)CN(C)Cc3cccc(O)c3)C2)c1.Cc1cccc(OC2CCCC(C(C)CNCc3ccccc3O)C2)c1
InChIInChI=1S/2C25H35NO.C24H33NO2.C24H33NO.C23H31NO2/c2*1-19-11-13-22(14-12-19)18-26(4)17-21(3)23-8-6-10-25(16-23)27-24-9-5-7-20(2)15-24;1-18-7-4-11-23(13-18)27-24-12-6-9-21(15-24)19(2)16-25(3)17-20-8-5-10-22(26)14-20;1-18-10-12-21(13-11-18)17-25-16-20(3)22-7-5-9-24(15-22)26-23-8-4-6-19(2)14-23;1-17-7-5-10-21(13-17)26-22-11-6-9-19(14-22)18(2)15-24-16-20-8-3-4-12-23(20)25/h2*5,7,9,11-15,21,23,25H,6,8,10,16-18H2,1-4H3;4-5,7-8,10-11,13-14,19,21,24,26H,6,9,12,15-17H2,1-3H3;4,6,8,10-14,20,22,24-25H,5,7,9,15-17H2,1-3H3;3-5,7-8,10,12-13,18-19,22,24-25H,6,9,11,14-16H2,1-2H3
InChIKeyKMYXTILISAKWRJ-UHFFFAOYSA-N
XLogP28.16
TPSA120.39 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001803.69
LogP ≤ 528.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol with MolForge

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Related Compounds

3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol
CID 146262342
2-[[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol
CID 134248685
2-[[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol
CID 134259560
N-benzyl-N-methyl-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134259562
N-[(4-chlorophenyl)methyl]-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248722
N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248693
N-[(2-chlorophenyl)methyl]-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248694
N-[(3-chlorophenyl)methyl]-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248679
2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 134248673
N-(3H-benzimidazol-5-ylmethyl)-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248687
4-ethylpyridine;methane;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propanal;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-(pyridin-4-ylmethyl)propan-1-amine;tetrakis(propan-2-ol);titanium
CID 158541404
N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine
CID 134259557

Frequently Asked Questions

What is the IUPAC name of bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol?
The IUPAC name of bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol (CID 159181687) is bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol.
What is the SMILES notation for bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol?
The canonical SMILES for bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol is Cc1ccc(CN(C)CC(C)C2CCCC(Oc3cccc(C)c3)C2)cc1.Cc1ccc(CN(C)CC(C)C2CCCC(Oc3cccc(C)c3)C2)cc1.Cc1ccc(CNCC(C)C2CCCC(Oc3cccc(C)c3)C2)cc1.Cc1cccc(OC2CCCC(C(C)CN(C)Cc3cccc(O)c3)C2)c1.Cc1cccc(OC2CCCC(C(C)CNCc3ccccc3O)C2)c1.
What is the InChIKey of bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol?
The InChIKey is KMYXTILISAKWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H35NO.C24H33NO2.C24H33NO.C23H31NO2/c2*1-19-11-13-22(14-12-19)18-26(4)17-21(3)23-8-6-10-25(16-23)27-24-9-5-7-20(2)15-24;1-18-7-4-11-23(13-18)27-24-12-6-9-21(15-24)19(2)16-25(3)17-20-8-5-10-22(26)14-20;1-18-10-12-21(13-11-18)17-25-16-20(3)22-7-5-9-24(15-22)26-23-8-4-6-19(2)14-23;1-17-7-5-10-21(13-17)26-22-11-6-9-19(14-22)18(2)15-24-16-20-8-3-4-12-23(20)25/h2*5,7,9,11-15,21,23,25H,6,8,10,16-18H2,1-4H3;4-5,7-8,10-11,13-14,19,21,24,26H,6,9,12,15-17H2,1-3H3;4,6,8,10-14,20,22,24-25H,5,7,9,15-17H2,1-3H3;3-5,7-8,10,12-13,18-19,22,24-25H,6,9,11,14-16H2,1-2H3.
What are the key properties of bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol?
bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol has a molecular weight of 1803.69 g/mol, XLogP of 28.16, 35 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-methyl-2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine);3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol;2-[3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;2-[[2-[3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol is sourced from PubChem (CID 159181687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).