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

C23H29Cl3N2O3 — CID 4722106

IUPACN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCOc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H29Cl3N2O3/c1-2-30-22-13-17(15-27-6-3-7-28-8-10-29-11-9-28)12-21(26)23(22)31-16-18-4-5-19(24)14-20(18)25/h4-5,12-14,27H,2-3,6-11,15-16H2,1H3
InChIKeyHTYNAEAKCRGZOM-UHFFFAOYSA-N
MW487.86 g/mol
LogP5.44
Rot. Bonds11

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

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 4722106) has the molecular formula C23H29Cl3N2O3 and a molecular weight of 487.86 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID4722106
Molecular FormulaC23H29Cl3N2O3
Molecular Weight487.86 g/mol
Exact Mass486.12
IUPAC NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCOc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H29Cl3N2O3/c1-2-30-22-13-17(15-27-6-3-7-28-8-10-29-11-9-28)12-21(26)23(22)31-16-18-4-5-19(24)14-20(18)25/h4-5,12-14,27H,2-3,6-11,15-16H2,1H3
InChIKeyHTYNAEAKCRGZOM-UHFFFAOYSA-N
XLogP5.44
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.86
LogP ≤ 55.44
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-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215530
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473298
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17294716
4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine
CID 170870173
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17295333
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538063
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538087
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17055552
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289446
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17291021
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722087
N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17055302

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine (CID 4722106) is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine is CCOc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is HTYNAEAKCRGZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl3N2O3/c1-2-30-22-13-17(15-27-6-3-7-28-8-10-29-11-9-28)12-21(26)23(22)31-16-18-4-5-19(24)14-20(18)25/h4-5,12-14,27H,2-3,6-11,15-16H2,1H3.
What are the key properties of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine?
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 487.86 g/mol, XLogP of 5.44, 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]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 4722106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).