N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine

C24H24ClF2NO2 — CID 4718662

IUPACN-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESCCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C24H24ClF2NO2/c1-2-29-23-14-17(15-28-12-11-18-7-3-5-9-21(18)26)13-20(25)24(23)30-16-19-8-4-6-10-22(19)27/h3-10,13-14,28H,2,11-12,15-16H2,1H3
InChIKeyJUSNLRXEVHKMAT-UHFFFAOYSA-N
MW431.91 g/mol
LogP5.93
Rot. Bonds10

About N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine

N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 4718662) has the molecular formula C24H24ClF2NO2 and a molecular weight of 431.91 g/mol. Its IUPAC name is N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID4718662
Molecular FormulaC24H24ClF2NO2
Molecular Weight431.91 g/mol
Exact Mass431.15
IUPAC NameN-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESCCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C24H24ClF2NO2/c1-2-29-23-14-17(15-28-12-11-18-7-3-5-9-21(18)26)13-20(25)24(23)30-16-19-8-4-6-10-22(19)27/h3-10,13-14,28H,2,11-12,15-16H2,1H3
InChIKeyJUSNLRXEVHKMAT-UHFFFAOYSA-N
XLogP5.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.91
LogP ≤ 55.93
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',N'-dibutyl-N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17214596
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 17208510
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 4718670
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289921
N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211211
N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717107
(2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40726832
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17293113
N'-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215546
N'-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720921
N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 4718456
2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 4715486

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine (CID 4718662) is N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine is CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1F.
What is the InChIKey of N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is JUSNLRXEVHKMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2NO2/c1-2-29-23-14-17(15-28-12-11-18-7-3-5-9-21(18)26)13-20(25)24(23)30-16-19-8-4-6-10-22(19)27/h3-10,13-14,28H,2,11-12,15-16H2,1H3.
What are the key properties of N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 431.91 g/mol, XLogP of 5.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 4718662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).