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

C23H23Cl3N2O3 — CID 66526136

IUPACN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
SMILESCCOc1cc(CNCCOc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H23Cl3N2O3/c1-2-29-21-12-16(14-27-9-10-30-22-5-3-4-8-28-22)11-20(26)23(21)31-15-17-6-7-18(24)13-19(17)25/h3-8,11-13,27H,2,9-10,14-15H2,1H3
InChIKeyZYERQFZZCNCNFB-UHFFFAOYSA-N
MW481.81 g/mol
LogP6.19
Rot. Bonds11

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

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 66526136) has the molecular formula C23H23Cl3N2O3 and a molecular weight of 481.81 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
PubChem CID66526136
Molecular FormulaC23H23Cl3N2O3
Molecular Weight481.81 g/mol
Exact Mass480.08
IUPAC NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
SMILESCCOc1cc(CNCCOc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H23Cl3N2O3/c1-2-29-21-12-16(14-27-9-10-30-22-5-3-4-8-28-22)11-20(26)23(21)31-15-17-6-7-18(24)13-19(17)25/h3-8,11-13,27H,2,9-10,14-15H2,1H3
InChIKeyZYERQFZZCNCNFB-UHFFFAOYSA-N
XLogP6.19
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.81
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526093
N-[[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525941
N-[[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526688
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526025
N'-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215530
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526033
N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526110
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132897324
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526021
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526211
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 17208510
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 4716416

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine (CID 66526136) is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine is CCOc1cc(CNCCOc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is ZYERQFZZCNCNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N2O3/c1-2-29-21-12-16(14-27-9-10-30-22-5-3-4-8-28-22)11-20(26)23(21)31-15-17-6-7-18(24)13-19(17)25/h3-8,11-13,27H,2,9-10,14-15H2,1H3.
What are the key properties of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine?
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 481.81 g/mol, XLogP of 6.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 66526136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).