1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine

C35H34N2O — CID 54471274

IUPAC1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine
SMILESCOc1ccccc1CNC(C)(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C35H34N2O/c1-34(29-18-7-3-8-19-29,36-27-28-17-15-16-26-33(28)38-2)37-35(30-20-9-4-10-21-30,31-22-11-5-12-23-31)32-24-13-6-14-25-32/h3-26,36-37H,27H2,1-2H3
InChIKeyXINUEOPKVISMFG-UHFFFAOYSA-N
MW498.67 g/mol
LogP7.24
Rot. Bonds10

About 1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine

1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine (PubChem CID 54471274) has the molecular formula C35H34N2O and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine
PubChem CID54471274
Molecular FormulaC35H34N2O
Molecular Weight498.67 g/mol
Exact Mass498.27
IUPAC Name1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine
SMILESCOc1ccccc1CNC(C)(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C35H34N2O/c1-34(29-18-7-3-8-19-29,36-27-28-17-15-16-26-33(28)38-2)37-35(30-20-9-4-10-21-30,31-22-11-5-12-23-31)32-24-13-6-14-25-32/h3-26,36-37H,27H2,1-2H3
InChIKeyXINUEOPKVISMFG-UHFFFAOYSA-N
XLogP7.24
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 79790952
2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 47084874
1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222301
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene
CID 79446963
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63069839
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
(2R)-N-[(2,5-dimethoxyphenyl)methyl]-1-methoxy-2-phenylpropan-2-amine
CID 97334692
(2S)-2-[(2-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496485

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine?
The IUPAC name of 1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine (CID 54471274) is 1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine.
What is the SMILES notation for 1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine?
The canonical SMILES for 1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine is COc1ccccc1CNC(C)(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine?
The InChIKey is XINUEOPKVISMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O/c1-34(29-18-7-3-8-19-29,36-27-28-17-15-16-26-33(28)38-2)37-35(30-20-9-4-10-21-30,31-22-11-5-12-23-31)32-24-13-6-14-25-32/h3-26,36-37H,27H2,1-2H3.
What are the key properties of 1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine?
1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine has a molecular weight of 498.67 g/mol, XLogP of 7.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxyphenyl)methyl]-1-phenyl-1-N'-tritylethane-1,1-diamine is sourced from PubChem (CID 54471274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).