N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

C23H34Cl2N2O3 — CID 17289415

IUPACN-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCCOc1cc(CNCCCN2CCOCC2)ccc1OCc1ccccc1.Cl.Cl
InChIInChI=1S/C23H32N2O3.2ClH/c1-2-27-23-17-21(18-24-11-6-12-25-13-15-26-16-14-25)9-10-22(23)28-19-20-7-4-3-5-8-20;;/h3-5,7-10,17,24H,2,6,11-16,18-19H2,1H3;2*1H
InChIKeyQTJNQNYBEBDOSV-UHFFFAOYSA-N
MW457.44 g/mol
LogP4.32
Rot. Bonds11

About N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (PubChem CID 17289415) has the molecular formula C23H34Cl2N2O3 and a molecular weight of 457.44 g/mol. Its IUPAC name is N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
PubChem CID17289415
Molecular FormulaC23H34Cl2N2O3
Molecular Weight457.44 g/mol
Exact Mass456.19
IUPAC NameN-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCCOc1cc(CNCCCN2CCOCC2)ccc1OCc1ccccc1.Cl.Cl
InChIInChI=1S/C23H32N2O3.2ClH/c1-2-27-23-17-21(18-24-11-6-12-25-13-15-26-16-14-25)9-10-22(23)28-19-20-7-4-3-5-8-20;;/h3-5,7-10,17,24H,2,6,11-16,18-19H2,1H3;2*1H
InChIKeyQTJNQNYBEBDOSV-UHFFFAOYSA-N
XLogP4.32
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.44
LogP ≤ 54.32
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-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 17159849
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4719269
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17159776
N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17055302
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722087
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538087
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289404
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 4715809
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 4719784
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123122

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The IUPAC name of N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (CID 17289415) is N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is CCOc1cc(CNCCCN2CCOCC2)ccc1OCc1ccccc1.Cl.Cl.
What is the InChIKey of N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The InChIKey is QTJNQNYBEBDOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3.2ClH/c1-2-27-23-17-21(18-24-11-6-12-25-13-15-26-16-14-25)9-10-22(23)28-19-20-7-4-3-5-8-20;;/h3-5,7-10,17,24H,2,6,11-16,18-19H2,1H3;2*1H.
What are the key properties of N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride has a molecular weight of 457.44 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 17289415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).