N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol

C65H76Br2N2O6 — CID 160991176

IUPACN-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol
SMILESBrCCOC(c1ccccc1)c1ccccc1.CNCCOC(c1ccccc1)c1ccccc1.COCCN(C)CCOC(c1ccccc1)c1ccccc1.OC(c1ccccc1)c1ccccc1.OCCBr
InChIInChI=1S/C19H25NO2.C16H19NO.C15H15BrO.C13H12O.C2H5BrO/c1-20(13-15-21-2)14-16-22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-1-2-4/h3-12,19H,13-16H2,1-2H3;2-11,16-17H,12-13H2,1H3;1-10,15H,11-12H2;1-10,13-14H;4H,1-2H2
InChIKeyTUQKQEJVZGDENT-UHFFFAOYSA-N
MW1141.14 g/mol
LogP13.71
Rot. Bonds23

About N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol

N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol (PubChem CID 160991176) has the molecular formula C65H76Br2N2O6 and a molecular weight of 1141.14 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol
PubChem CID160991176
Molecular FormulaC65H76Br2N2O6
Molecular Weight1141.14 g/mol
Exact Mass1138.41
IUPAC NameN-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol
SMILESBrCCOC(c1ccccc1)c1ccccc1.CNCCOC(c1ccccc1)c1ccccc1.COCCN(C)CCOC(c1ccccc1)c1ccccc1.OC(c1ccccc1)c1ccccc1.OCCBr
InChIInChI=1S/C19H25NO2.C16H19NO.C15H15BrO.C13H12O.C2H5BrO/c1-20(13-15-21-2)14-16-22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-1-2-4/h3-12,19H,13-16H2,1-2H3;2-11,16-17H,12-13H2,1H3;1-10,15H,11-12H2;1-10,13-14H;4H,1-2H2
InChIKeyTUQKQEJVZGDENT-UHFFFAOYSA-N
XLogP13.71
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.14
LogP ≤ 513.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[4-[4-[2-(2-Hydroxyethylamino)ethoxy-[4-(methoxymethyl)phenyl]boranyl]phenyl]phenyl]-(4-methylphenyl)boranyl]oxyethylamino]ethanol
CID 58414166
2-benzhydryloxy-N,N-dimethylethanamine;2-[2-benzhydryloxyethyl(methyl)amino]-1-phenylpropan-1-ol;dihydrochloride
CID 67804564
2-bromoacetamide;N,N-diethylethanamine;2-trityloxyethanamine;2-(2-trityloxyethylamino)acetamide
CID 157690852
1-(2-Benzhydryloxyethyl)piperazine;[2-chloroethoxy(phenyl)methyl]benzene;diphenylmethanol;ethane
CID 157807992
azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride
CID 158741540
Dipotassium;azane;bis(1-(1-benzhydryloxypropan-2-yloxy)propan-2-amine);bis(2-[1-(1-benzhydryloxypropan-2-yloxy)propan-2-yl-(2-hydroxyethyl)amino]ethanol);bis(diphenylmethanol);bis([2-methoxypropoxy(phenyl)methyl]benzene);molecular hydrogen;dihydroxide
CID 159608614
azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;methane;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride
CID 159948888
2-benzhydryloxyethanol;N-(2-benzhydryloxyethyl)-N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;[bromo(phenyl)methyl]benzene;methane;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;[phenyl(propoxy)methyl]benzene
CID 160120109
(1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 161287663
N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol;methyl methanesulfonate
CID 161318337
2-Bromoethoxymethylbenzene;methanol;1-(2-phenylmethoxyethyl)-4-(3-phenylpropyl)piperazine;1-(3-phenylpropyl)piperazine
CID 161338061

Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol?
The IUPAC name of N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol (CID 160991176) is N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol?
The canonical SMILES for N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol is BrCCOC(c1ccccc1)c1ccccc1.CNCCOC(c1ccccc1)c1ccccc1.COCCN(C)CCOC(c1ccccc1)c1ccccc1.OC(c1ccccc1)c1ccccc1.OCCBr.
What is the InChIKey of N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol?
The InChIKey is TUQKQEJVZGDENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.C16H19NO.C15H15BrO.C13H12O.C2H5BrO/c1-20(13-15-21-2)14-16-22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-1-2-4/h3-12,19H,13-16H2,1-2H3;2-11,16-17H,12-13H2,1H3;1-10,15H,11-12H2;1-10,13-14H;4H,1-2H2.
What are the key properties of N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol?
N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol has a molecular weight of 1141.14 g/mol, XLogP of 13.71, 23 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol is sourced from PubChem (CID 160991176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).