2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine

C37H37N — CID 139692679

IUPAC2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine
SMILESCN(C)C(Cc1ccccc1)(Cc1ccccc1)c1cccc(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C37H37N/c1-38(2)37(28-32-20-11-5-12-21-32,29-33-22-13-6-14-23-33)36-25-15-24-34(26-30-16-7-3-8-17-30)35(36)27-31-18-9-4-10-19-31/h3-25H,26-29H2,1-2H3
InChIKeyOOYCOKZTEGMIGT-UHFFFAOYSA-N
MW495.71 g/mol
LogP8.11
Rot. Bonds10

About 2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine

2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine (PubChem CID 139692679) has the molecular formula C37H37N and a molecular weight of 495.71 g/mol. Its IUPAC name is 2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine.

Molecular Properties

Compound Name2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine
PubChem CID139692679
Molecular FormulaC37H37N
Molecular Weight495.71 g/mol
Exact Mass495.29
IUPAC Name2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine
SMILESCN(C)C(Cc1ccccc1)(Cc1ccccc1)c1cccc(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C37H37N/c1-38(2)37(28-32-20-11-5-12-21-32,29-33-22-13-6-14-23-33)36-25-15-24-34(26-30-16-7-3-8-17-30)35(36)27-31-18-9-4-10-19-31/h3-25H,26-29H2,1-2H3
InChIKeyOOYCOKZTEGMIGT-UHFFFAOYSA-N
XLogP8.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine?
The IUPAC name of 2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine (CID 139692679) is 2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine.
What is the SMILES notation for 2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine?
The canonical SMILES for 2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine is CN(C)C(Cc1ccccc1)(Cc1ccccc1)c1cccc(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine?
The InChIKey is OOYCOKZTEGMIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N/c1-38(2)37(28-32-20-11-5-12-21-32,29-33-22-13-6-14-23-33)36-25-15-24-34(26-30-16-7-3-8-17-30)35(36)27-31-18-9-4-10-19-31/h3-25H,26-29H2,1-2H3.
What are the key properties of 2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine?
2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine has a molecular weight of 495.71 g/mol, XLogP of 8.11, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dibenzylphenyl)-N,N-dimethyl-1,3-diphenylpropan-2-amine is sourced from PubChem (CID 139692679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).