N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine

C19H23Cl2NO3 — CID 66530757

IUPACN-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
SMILESCCOc1cc(CNCCOC)c(Cl)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H23Cl2NO3/c1-3-24-18-10-15(12-22-8-9-23-2)17(21)11-19(18)25-13-14-4-6-16(20)7-5-14/h4-7,10-11,22H,3,8-9,12-13H2,1-2H3
InChIKeyCVJZBCBNZIKPBU-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.71
Rot. Bonds10

About N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine

N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 66530757) has the molecular formula C19H23Cl2NO3 and a molecular weight of 384.30 g/mol. Its IUPAC name is N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
PubChem CID66530757
Molecular FormulaC19H23Cl2NO3
Molecular Weight384.30 g/mol
Exact Mass383.11
IUPAC NameN-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
SMILESCCOc1cc(CNCCOC)c(Cl)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H23Cl2NO3/c1-3-24-18-10-15(12-22-8-9-23-2)17(21)11-19(18)25-13-14-4-6-16(20)7-5-14/h4-7,10-11,22H,3,8-9,12-13H2,1-2H3
InChIKeyCVJZBCBNZIKPBU-UHFFFAOYSA-N
XLogP4.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 66530676
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 66530663
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 66531260
3-butoxy-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-1-amine
CID 66530665
N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 66531453
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 66537532
N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66531450
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]octan-1-amine
CID 66529224
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]heptan-1-amine
CID 66529148
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66531220
[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol
CID 66529304
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66531776

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine (CID 66530757) is N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine is CCOc1cc(CNCCOC)c(Cl)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is CVJZBCBNZIKPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO3/c1-3-24-18-10-15(12-22-8-9-23-2)17(21)11-19(18)25-13-14-4-6-16(20)7-5-14/h4-7,10-11,22H,3,8-9,12-13H2,1-2H3.
What are the key properties of N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine?
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine has a molecular weight of 384.30 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66530757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).