N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine

C26H32N2 — CID 58177579

IUPACN-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccc(CN(CC)Cc2ccccc2)cc1
InChIInChI=1S/C26H32N2/c1-3-27(19-23-11-7-5-8-12-23)21-25-15-17-26(18-16-25)22-28(4-2)20-24-13-9-6-10-14-24/h5-18H,3-4,19-22H2,1-2H3
InChIKeyQQNDZCIFKXXEJJ-UHFFFAOYSA-N
MW372.56 g/mol
LogP5.73
Rot. Bonds10

About N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine

N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine (PubChem CID 58177579) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
PubChem CID58177579
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC NameN-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccc(CN(CC)Cc2ccccc2)cc1
InChIInChI=1S/C26H32N2/c1-3-27(19-23-11-7-5-8-12-23)21-25-15-17-26(18-16-25)22-28(4-2)20-24-13-9-6-10-14-24/h5-18H,3-4,19-22H2,1-2H3
InChIKeyQQNDZCIFKXXEJJ-UHFFFAOYSA-N
XLogP5.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzalkonium Chloride
CID 3014024
Benzododecinium Chloride
CID 8753
Cinnarizine
CID 1547484
Cyclizine
CID 6726
Benzylhexadecyldimethylammonium chloride
CID 31202
Benzphetamine
CID 5311017
Benzyldimethylstearylammonium chloride
CID 31204
Benzyldimethyltetradecylammonium chloride
CID 8755
Benzododecinium Bromide
CID 23705
Benzyl triethylammonium chloride
CID 66133
Benzfetamine
CID 2341
1,4-Dibenzylpiperazine
CID 200601

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine (CID 58177579) is N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine is CCN(Cc1ccccc1)Cc1ccc(CN(CC)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine?
The InChIKey is QQNDZCIFKXXEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-3-27(19-23-11-7-5-8-12-23)21-25-15-17-26(18-16-25)22-28(4-2)20-24-13-9-6-10-14-24/h5-18H,3-4,19-22H2,1-2H3.
What are the key properties of N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine?
N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine has a molecular weight of 372.56 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 58177579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).