N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine

C37H38N2 — CID 163873740

IUPACN-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
SMILESc1ccc(CCN(Cc2ccccc2)Cc2cccc(CN(Cc3ccccc3)Cc3ccccc3)c2)cc1
InChIInChI=1S/C37H38N2/c1-5-14-32(15-6-1)24-25-38(27-33-16-7-2-8-17-33)30-36-22-13-23-37(26-36)31-39(28-34-18-9-3-10-19-34)29-35-20-11-4-12-21-35/h1-23,26H,24-25,27-31H2
InChIKeyPNBUNULVWCSSHV-UHFFFAOYSA-N
MW510.73 g/mol
LogP8.13
Rot. Bonds13

About N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine

N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine (PubChem CID 163873740) has the molecular formula C37H38N2 and a molecular weight of 510.73 g/mol. Its IUPAC name is N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
PubChem CID163873740
Molecular FormulaC37H38N2
Molecular Weight510.73 g/mol
Exact Mass510.30
IUPAC NameN-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
SMILESc1ccc(CCN(Cc2ccccc2)Cc2cccc(CN(Cc3ccccc3)Cc3ccccc3)c2)cc1
InChIInChI=1S/C37H38N2/c1-5-14-32(15-6-1)24-25-38(27-33-16-7-2-8-17-33)30-36-22-13-23-37(26-36)31-39(28-34-18-9-3-10-19-34)29-35-20-11-4-12-21-35/h1-23,26H,24-25,27-31H2
InChIKeyPNBUNULVWCSSHV-UHFFFAOYSA-N
XLogP8.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.73
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
CID 142099028
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 70827105
N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
CID 89334206
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
N,N-dibenzylpropan-1-amine
CID 10840212

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine?
The IUPAC name of N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine (CID 163873740) is N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine?
The canonical SMILES for N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine is c1ccc(CCN(Cc2ccccc2)Cc2cccc(CN(Cc3ccccc3)Cc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine?
The InChIKey is PNBUNULVWCSSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2/c1-5-14-32(15-6-1)24-25-38(27-33-16-7-2-8-17-33)30-36-22-13-23-37(26-36)31-39(28-34-18-9-3-10-19-34)29-35-20-11-4-12-21-35/h1-23,26H,24-25,27-31H2.
What are the key properties of N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine?
N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine has a molecular weight of 510.73 g/mol, XLogP of 8.13, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine is sourced from PubChem (CID 163873740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).