N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride

C17H29Cl3N2O3 — CID 6473298

IUPACN-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCC.Cl.Cl
InChIInChI=1S/C17H27ClN2O3.2ClH/c1-3-22-16-12-14(11-15(18)17(16)23-4-2)13-19-5-6-20-7-9-21-10-8-20;;/h11-12,19H,3-10,13H2,1-2H3;2*1H
InChIKeyDAODYCZBQZNNMB-UHFFFAOYSA-N
MW415.79 g/mol
LogP3.40
Rot. Bonds9

About N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride

N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (PubChem CID 6473298) has the molecular formula C17H29Cl3N2O3 and a molecular weight of 415.79 g/mol. Its IUPAC name is N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
PubChem CID6473298
Molecular FormulaC17H29Cl3N2O3
Molecular Weight415.79 g/mol
Exact Mass414.12
IUPAC NameN-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCC.Cl.Cl
InChIInChI=1S/C17H27ClN2O3.2ClH/c1-3-22-16-12-14(11-15(18)17(16)23-4-2)13-19-5-6-20-7-9-21-10-8-20;;/h11-12,19H,3-10,13H2,1-2H3;2*1H
InChIKeyDAODYCZBQZNNMB-UHFFFAOYSA-N
XLogP3.40
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.79
LogP ≤ 53.40
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-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17295333
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722106
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17159852
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17295188
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 17159763
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 66538009
N'-[(3-chloro-4,5-diethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215598
2-[3-chloro-5-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22681076
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241589
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
2-[3-[(3-chloro-4,5-diethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214206
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17055552

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The IUPAC name of N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (CID 6473298) is N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The canonical SMILES for N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is CCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCC.Cl.Cl.
What is the InChIKey of N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The InChIKey is DAODYCZBQZNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3.2ClH/c1-3-22-16-12-14(11-15(18)17(16)23-4-2)13-19-5-6-20-7-9-21-10-8-20;;/h11-12,19H,3-10,13H2,1-2H3;2*1H.
What are the key properties of N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride has a molecular weight of 415.79 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 6473298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).