2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride

C23H23Cl3FNO2 — CID 17209623

IUPAC2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
SMILESCOc1cccc(CNCCc2ccc(Cl)cc2Cl)c1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C23H22Cl2FNO2.ClH/c1-28-22-4-2-3-18(23(22)29-15-16-5-9-20(26)10-6-16)14-27-12-11-17-7-8-19(24)13-21(17)25;/h2-10,13,27H,11-12,14-15H2,1H3;1H
InChIKeyQMQZTUHOTFIQTF-UHFFFAOYSA-N
MW470.80 g/mol
LogP6.47
Rot. Bonds9

About 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride

2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride (PubChem CID 17209623) has the molecular formula C23H23Cl3FNO2 and a molecular weight of 470.80 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
PubChem CID17209623
Molecular FormulaC23H23Cl3FNO2
Molecular Weight470.80 g/mol
Exact Mass469.08
IUPAC Name2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
SMILESCOc1cccc(CNCCc2ccc(Cl)cc2Cl)c1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C23H22Cl2FNO2.ClH/c1-28-22-4-2-3-18(23(22)29-15-16-5-9-20(26)10-6-16)14-27-12-11-17-7-8-19(24)13-21(17)25;/h2-10,13,27H,11-12,14-15H2,1H3;1H
InChIKeyQMQZTUHOTFIQTF-UHFFFAOYSA-N
XLogP6.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.80
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209705
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289861
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535931
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208415
2-(2,4-dichlorophenyl)-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine
CID 17209851
2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17209966
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride
CID 17209736
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17290756
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214062
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17212733
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 66529536

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride (CID 17209623) is 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride is COc1cccc(CNCCc2ccc(Cl)cc2Cl)c1OCc1ccc(F)cc1.Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
The InChIKey is QMQZTUHOTFIQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2FNO2.ClH/c1-28-22-4-2-3-18(23(22)29-15-16-5-9-20(26)10-6-16)14-27-12-11-17-7-8-19(24)13-21(17)25;/h2-10,13,27H,11-12,14-15H2,1H3;1H.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride has a molecular weight of 470.80 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17209623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).