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

C67H82Br2N2O9S — CID 161318337

IUPACN-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol;methyl methanesulfonate
SMILESBrCCOC(c1ccccc1)c1ccccc1.CNCCOC(c1ccccc1)c1ccccc1.COCCN(C)CCOC(c1ccccc1)c1ccccc1.COS(C)(=O)=O.OC(c1ccccc1)c1ccccc1.OCCBr
InChIInChI=1S/C19H25NO2.C16H19NO.C15H15BrO.C13H12O.C2H5BrO.C2H6O3S/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;1-5-6(2,3)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;1-2H3
InChIKeyVJUKIFKNADEWSO-UHFFFAOYSA-N
MW1251.27 g/mol
LogP13.30
Rot. Bonds24

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

N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol;methyl methanesulfonate (PubChem CID 161318337) has the molecular formula C67H82Br2N2O9S and a molecular weight of 1251.27 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;methyl methanesulfonate.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol;methyl methanesulfonate
PubChem CID161318337
Molecular FormulaC67H82Br2N2O9S
Molecular Weight1251.27 g/mol
Exact Mass1248.41
IUPAC NameN-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol;methyl methanesulfonate
SMILESBrCCOC(c1ccccc1)c1ccccc1.CNCCOC(c1ccccc1)c1ccccc1.COCCN(C)CCOC(c1ccccc1)c1ccccc1.COS(C)(=O)=O.OC(c1ccccc1)c1ccccc1.OCCBr
InChIInChI=1S/C19H25NO2.C16H19NO.C15H15BrO.C13H12O.C2H5BrO.C2H6O3S/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;1-5-6(2,3)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;1-2H3
InChIKeyVJUKIFKNADEWSO-UHFFFAOYSA-N
XLogP13.30
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001251.27
LogP ≤ 513.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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

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

Launch Full Analysis

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;methyl methanesulfonate?
The IUPAC name of N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol;methyl methanesulfonate (CID 161318337) is N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol;methyl methanesulfonate.
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;methyl methanesulfonate?
The canonical SMILES for N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol;methyl methanesulfonate is BrCCOC(c1ccccc1)c1ccccc1.CNCCOC(c1ccccc1)c1ccccc1.COCCN(C)CCOC(c1ccccc1)c1ccccc1.COS(C)(=O)=O.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;methyl methanesulfonate?
The InChIKey is VJUKIFKNADEWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.C16H19NO.C15H15BrO.C13H12O.C2H5BrO.C2H6O3S/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;1-5-6(2,3)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;1-2H3.
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;methyl methanesulfonate?
N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol;methyl methanesulfonate has a molecular weight of 1251.27 g/mol, XLogP of 13.30, 24 rotatable bonds, 3 hydrogen bond donors, and 11 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;methyl methanesulfonate is sourced from PubChem (CID 161318337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).