N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine

C28H27NO2 — CID 11795851

IUPACN-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
SMILESCOc1ccc(C([15NH]Cc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H27NO2/c1-30-26-17-13-24(14-18-26)28(23-11-7-4-8-12-23,25-15-19-27(31-2)20-16-25)29-21-22-9-5-3-6-10-22/h3-20,29H,21H2,1-2H3/i29+1
InChIKeyQVNWEKQTMMCALW-HFZKCAFASA-N
MW410.52 g/mol
LogP5.79
Rot. Bonds8

About N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine

N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine (PubChem CID 11795851) has the molecular formula C28H27NO2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine.

Molecular Properties

Compound NameN-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
PubChem CID11795851
Molecular FormulaC28H27NO2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC NameN-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
SMILESCOc1ccc(C([15NH]Cc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H27NO2/c1-30-26-17-13-24(14-18-26)28(23-11-7-4-8-12-23,25-15-19-27(31-2)20-16-25)29-21-22-9-5-3-6-10-22/h3-20,29H,21H2,1-2H3/i29+1
InChIKeyQVNWEKQTMMCALW-HFZKCAFASA-N
XLogP5.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918
2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
CID 113225435
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol
CID 101065100
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
4-[[(4-methoxyphenyl)-diphenylmethyl]amino]benzoic acid
CID 13008997

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine?
The IUPAC name of N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine (CID 11795851) is N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine.
What is the SMILES notation for N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine?
The canonical SMILES for N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine is COc1ccc(C([15NH]Cc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine?
The InChIKey is QVNWEKQTMMCALW-HFZKCAFASA-N. The full InChI is InChI=1S/C28H27NO2/c1-30-26-17-13-24(14-18-26)28(23-11-7-4-8-12-23,25-15-19-27(31-2)20-16-25)29-21-22-9-5-3-6-10-22/h3-20,29H,21H2,1-2H3/i29+1.
What are the key properties of N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine?
N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine has a molecular weight of 410.52 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine is sourced from PubChem (CID 11795851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).