N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine

C24H24Cl3NO2 — CID 4715538

IUPACN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine
SMILESCCOc1cc(CNC(C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H24Cl3NO2/c1-3-29-23-12-17(14-28-16(2)18-7-5-4-6-8-18)11-22(27)24(23)30-15-19-9-10-20(25)13-21(19)26/h4-13,16,28H,3,14-15H2,1-2H3
InChIKeyUNSLPCUUPXODCX-UHFFFAOYSA-N
MW464.82 g/mol
LogP7.48
Rot. Bonds9

About N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine (PubChem CID 4715538) has the molecular formula C24H24Cl3NO2 and a molecular weight of 464.82 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine
PubChem CID4715538
Molecular FormulaC24H24Cl3NO2
Molecular Weight464.82 g/mol
Exact Mass463.09
IUPAC NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine
SMILESCCOc1cc(CNC(C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H24Cl3NO2/c1-3-29-23-12-17(14-28-16(2)18-7-5-4-6-8-18)11-22(27)24(23)30-15-19-9-10-20(25)13-21(19)26/h4-13,16,28H,3,14-15H2,1-2H3
InChIKeyUNSLPCUUPXODCX-UHFFFAOYSA-N
XLogP7.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine
CID 51995102
(1S)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylethanamine
CID 29226441
2-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-3-methylbutanoic acid
CID 66527607
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylethanamine
CID 4715541
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine
CID 17155585
N'-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215530
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715527
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126127578
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126123231
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17155917
N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717107

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine (CID 4715538) is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine is CCOc1cc(CNC(C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine?
The InChIKey is UNSLPCUUPXODCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl3NO2/c1-3-29-23-12-17(14-28-16(2)18-7-5-4-6-8-18)11-22(27)24(23)30-15-19-9-10-20(25)13-21(19)26/h4-13,16,28H,3,14-15H2,1-2H3.
What are the key properties of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine?
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine has a molecular weight of 464.82 g/mol, XLogP of 7.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 4715538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).