N,N-dibenzyl-1-phenylmethanamine

C21H21N — CID 24321

IUPACN,N-dibenzyl-1-phenylmethanamine
SMILESc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyMXHTZQSKTCCMFG-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.89
Rot. Bonds6

About N,N-dibenzyl-1-phenylmethanamine

N,N-dibenzyl-1-phenylmethanamine (PubChem CID 24321) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N,N-dibenzyl-1-phenylmethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-phenylmethanamine
PubChem CID24321
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN,N-dibenzyl-1-phenylmethanamine
SMILESc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyMXHTZQSKTCCMFG-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-phenylmethanamine?
The IUPAC name of N,N-dibenzyl-1-phenylmethanamine (CID 24321) is N,N-dibenzyl-1-phenylmethanamine.
What is the SMILES notation for N,N-dibenzyl-1-phenylmethanamine?
The canonical SMILES for N,N-dibenzyl-1-phenylmethanamine is c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-1-phenylmethanamine?
The InChIKey is MXHTZQSKTCCMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2.
What are the key properties of N,N-dibenzyl-1-phenylmethanamine?
N,N-dibenzyl-1-phenylmethanamine has a molecular weight of 287.41 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-phenylmethanamine is sourced from PubChem (CID 24321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).