1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine

C41H38N2O2 — CID 58761168

IUPAC1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine
SMILESc1ccc(C(NCOCOCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C41H38N2O2/c1-7-19-34(20-8-1)40(35-21-9-2-10-22-35,36-23-11-3-12-24-36)42-31-44-33-45-32-43-41(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30,42-43H,31-33H2
InChIKeyOMUBELHPRFTBSP-UHFFFAOYSA-N
MW590.77 g/mol
LogP8.06
Rot. Bonds14

About 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine

1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine (PubChem CID 58761168) has the molecular formula C41H38N2O2 and a molecular weight of 590.77 g/mol. Its IUPAC name is 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine.

Molecular Properties

Compound Name1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine
PubChem CID58761168
Molecular FormulaC41H38N2O2
Molecular Weight590.77 g/mol
Exact Mass590.29
IUPAC Name1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine
SMILESc1ccc(C(NCOCOCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C41H38N2O2/c1-7-19-34(20-8-1)40(35-21-9-2-10-22-35,36-23-11-3-12-24-36)42-31-44-33-45-32-43-41(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30,42-43H,31-33H2
InChIKeyOMUBELHPRFTBSP-UHFFFAOYSA-N
XLogP8.06
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine with MolForge

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Related Compounds

acetic acid;N-[(acetylamino)methoxymethoxymethyl]acetamide;acetyl chloride;aminomethoxymethoxymethanamine;dibromomethane;methane;1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine;(tritylamino)methanol;bis(yttrium)
CID 162071566
methyl 2-(tritylamino)acetate
CID 637611
N'-trityl-N-[4-[7-(tritylamino)heptylamino]butyl]heptane-1,7-diamine
CID 101358103
N-benzyl-N'-tritylbutane-1,4-diamine
CID 11037211
2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine
CID 59081096
(1S)-1-phenyl-2-(tritylamino)ethanol
CID 69267924
N-[2-(tritylamino)ethyl]formamide
CID 11002043
N'-benzyl-N-[3-(tritylamino)propyl]butane-1,4-diamine
CID 101096515
N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
CID 11795851
N-methoxy-1,1,1-triphenylmethanamine
CID 3384746
3-bromo-N-tritylbutan-1-amine
CID 57015899
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918

Frequently Asked Questions

What is the IUPAC name of 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine?
The IUPAC name of 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine (CID 58761168) is 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine.
What is the SMILES notation for 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine?
The canonical SMILES for 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine is c1ccc(C(NCOCOCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine?
The InChIKey is OMUBELHPRFTBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N2O2/c1-7-19-34(20-8-1)40(35-21-9-2-10-22-35,36-23-11-3-12-24-36)42-31-44-33-45-32-43-41(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30,42-43H,31-33H2.
What are the key properties of 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine?
1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine has a molecular weight of 590.77 g/mol, XLogP of 8.06, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine is sourced from PubChem (CID 58761168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).