N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride

C24H26Cl2FNO2 — CID 17212733

IUPACN-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
SMILESCCOc1cccc(CNCCc2ccccc2F)c1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H25ClFNO2.ClH/c1-2-28-23-9-5-7-20(16-27-15-14-19-6-3-4-8-22(19)26)24(23)29-17-18-10-12-21(25)13-11-18;/h3-13,27H,2,14-17H2,1H3;1H
InChIKeyJGFLTQKCJJJVKZ-UHFFFAOYSA-N
MW450.38 g/mol
LogP6.21
Rot. Bonds10

About N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride

N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride (PubChem CID 17212733) has the molecular formula C24H26Cl2FNO2 and a molecular weight of 450.38 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
PubChem CID17212733
Molecular FormulaC24H26Cl2FNO2
Molecular Weight450.38 g/mol
Exact Mass449.13
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
SMILESCCOc1cccc(CNCCc2ccccc2F)c1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H25ClFNO2.ClH/c1-2-28-23-9-5-7-20(16-27-15-14-19-6-3-4-8-22(19)26)24(23)29-17-18-10-12-21(25)13-11-18;/h3-13,27H,2,14-17H2,1H3;1H
InChIKeyJGFLTQKCJJJVKZ-UHFFFAOYSA-N
XLogP6.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.38
LogP ≤ 56.21
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

2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208783
2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17209966
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17216237
2-(2,4-dichlorophenyl)-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine
CID 17209851
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]heptan-1-amine
CID 17206174
4-[2-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17212731
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208415
4-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17212595
N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine;hydrochloride
CID 17212617
4-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide
CID 17212596

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride (CID 17212733) is N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride is CCOc1cccc(CNCCc2ccccc2F)c1OCc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is JGFLTQKCJJJVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFNO2.ClH/c1-2-28-23-9-5-7-20(16-27-15-14-19-6-3-4-8-22(19)26)24(23)29-17-18-10-12-21(25)13-11-18;/h3-13,27H,2,14-17H2,1H3;1H.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride?
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 450.38 g/mol, XLogP of 6.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 17212733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).