N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine

C40H44N2 — CID 59482591

IUPACN-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
SMILESc1ccc(CCN(CCc2ccccc2)Cc2ccc(CN(CCc3ccccc3)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C40H44N2/c1-5-13-35(14-6-1)25-29-41(30-26-36-15-7-2-8-16-36)33-39-21-23-40(24-22-39)34-42(31-27-37-17-9-3-10-18-37)32-28-38-19-11-4-12-20-38/h1-24H,25-34H2
InChIKeyOUVCPHZTBWRNFT-UHFFFAOYSA-N
MW552.81 g/mol
LogP8.26
Rot. Bonds16

About N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine

N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine (PubChem CID 59482591) has the molecular formula C40H44N2 and a molecular weight of 552.81 g/mol. Its IUPAC name is N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound NameN-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
PubChem CID59482591
Molecular FormulaC40H44N2
Molecular Weight552.81 g/mol
Exact Mass552.35
IUPAC NameN-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
SMILESc1ccc(CCN(CCc2ccccc2)Cc2ccc(CN(CCc3ccccc3)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C40H44N2/c1-5-13-35(14-6-1)25-29-41(30-26-36-15-7-2-8-16-36)33-39-21-23-40(24-22-39)34-42(31-27-37-17-9-3-10-18-37)32-28-38-19-11-4-12-20-38/h1-24H,25-34H2
InChIKeyOUVCPHZTBWRNFT-UHFFFAOYSA-N
XLogP8.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.81
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
CID 163873740
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117
2-[benzyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60649363
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine
CID 175631821
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
CID 142099028
4-[benzyl(2-phenylethyl)amino]-N-hydroxybutanamide
CID 155156496

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine?
The IUPAC name of N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine (CID 59482591) is N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine?
The canonical SMILES for N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine is c1ccc(CCN(CCc2ccccc2)Cc2ccc(CN(CCc3ccccc3)CCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine?
The InChIKey is OUVCPHZTBWRNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N2/c1-5-13-35(14-6-1)25-29-41(30-26-36-15-7-2-8-16-36)33-39-21-23-40(24-22-39)34-42(31-27-37-17-9-3-10-18-37)32-28-38-19-11-4-12-20-38/h1-24H,25-34H2.
What are the key properties of N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine?
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine has a molecular weight of 552.81 g/mol, XLogP of 8.26, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 59482591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).