N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine

C22H20Cl3NO — CID 17209562

IUPACN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESClc1ccc(CCNCc2ccccc2OCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C22H20Cl3NO/c23-19-10-9-16(21(25)13-19)11-12-26-14-17-5-2-4-8-22(17)27-15-18-6-1-3-7-20(18)24/h1-10,13,26H,11-12,14-15H2
InChIKeyUCFSCOQRQSNZEX-UHFFFAOYSA-N
MW420.77 g/mol
LogP6.56
Rot. Bonds8

About N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine

N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine (PubChem CID 17209562) has the molecular formula C22H20Cl3NO and a molecular weight of 420.77 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
PubChem CID17209562
Molecular FormulaC22H20Cl3NO
Molecular Weight420.77 g/mol
Exact Mass419.06
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESClc1ccc(CCNCc2ccccc2OCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C22H20Cl3NO/c23-19-10-9-16(21(25)13-19)11-12-26-14-17-5-2-4-8-22(17)27-15-18-6-1-3-7-20(18)24/h1-10,13,26H,11-12,14-15H2
InChIKeyUCFSCOQRQSNZEX-UHFFFAOYSA-N
XLogP6.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.77
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292530
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209578
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17293135
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720063
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66531220
2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457819

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine (CID 17209562) is N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine is Clc1ccc(CCNCc2ccccc2OCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
The InChIKey is UCFSCOQRQSNZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3NO/c23-19-10-9-16(21(25)13-19)11-12-26-14-17-5-2-4-8-22(17)27-15-18-6-1-3-7-20(18)24/h1-10,13,26H,11-12,14-15H2.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine has a molecular weight of 420.77 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 17209562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).