N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine

C34H31N — CID 174388884

IUPACN-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine
SMILESCN(Cc1ccccc1)Cc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H31N/c1-35(26-28-15-6-2-7-16-28)27-29-17-14-24-33(25-29)34(30-18-8-3-9-19-30,31-20-10-4-11-21-31)32-22-12-5-13-23-32/h2-25H,26-27H2,1H3
InChIKeyRVTWYRMYWYUROC-UHFFFAOYSA-N
MW453.63 g/mol
LogP7.70
Rot. Bonds8

About N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine

N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine (PubChem CID 174388884) has the molecular formula C34H31N and a molecular weight of 453.63 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine
PubChem CID174388884
Molecular FormulaC34H31N
Molecular Weight453.63 g/mol
Exact Mass453.25
IUPAC NameN-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine
SMILESCN(Cc1ccccc1)Cc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H31N/c1-35(26-28-15-6-2-7-16-28)27-29-17-14-24-33(25-29)34(30-18-8-3-9-19-30,31-20-10-4-11-21-31)32-22-12-5-13-23-32/h2-25H,26-27H2,1H3
InChIKeyRVTWYRMYWYUROC-UHFFFAOYSA-N
XLogP7.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide
CID 53231447
4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
CID 82183785
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487226
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62263027
N-[(4-boranyl-3-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 88897051
3-[[benzyl(methyl)amino]methyl]-4-methylaniline
CID 82129969

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine?
The IUPAC name of N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine (CID 174388884) is N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine?
The canonical SMILES for N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine is CN(Cc1ccccc1)Cc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine?
The InChIKey is RVTWYRMYWYUROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N/c1-35(26-28-15-6-2-7-16-28)27-29-17-14-24-33(25-29)34(30-18-8-3-9-19-30,31-20-10-4-11-21-31)32-22-12-5-13-23-32/h2-25H,26-27H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine?
N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine has a molecular weight of 453.63 g/mol, XLogP of 7.70, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine is sourced from PubChem (CID 174388884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).