2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride

C23H34Cl2N2O4 — CID 17216059

IUPAC2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
SMILESCOc1ccc(CNCCc2ccc(OC)c(OC)c2)cc1CN1CCOCC1.Cl.Cl
InChIInChI=1S/C23H32N2O4.2ClH/c1-26-21-6-5-19(14-20(21)17-25-10-12-29-13-11-25)16-24-9-8-18-4-7-22(27-2)23(15-18)28-3;;/h4-7,14-15,24H,8-13,16-17H2,1-3H3;2*1H
InChIKeyVQZWZTHBOUUQHO-UHFFFAOYSA-N
MW473.44 g/mol
LogP3.72
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride

2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride (PubChem CID 17216059) has the molecular formula C23H34Cl2N2O4 and a molecular weight of 473.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
PubChem CID17216059
Molecular FormulaC23H34Cl2N2O4
Molecular Weight473.44 g/mol
Exact Mass472.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
SMILESCOc1ccc(CNCCc2ccc(OC)c(OC)c2)cc1CN1CCOCC1.Cl.Cl
InChIInChI=1S/C23H32N2O4.2ClH/c1-26-21-6-5-19(14-20(21)17-25-10-12-29-13-11-25)16-24-9-8-18-4-7-22(27-2)23(15-18)28-3;;/h4-7,14-15,24H,8-13,16-17H2,1-3H3;2*1H
InChIKeyVQZWZTHBOUUQHO-UHFFFAOYSA-N
XLogP3.72
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17216096
2-(cyclohexen-1-yl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216019
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
2-(1H-indol-3-yl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216103
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625014
2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride
CID 17216101
3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine
CID 17216138
2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol
CID 17216054
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117384193

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride (CID 17216059) is 2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride is COc1ccc(CNCCc2ccc(OC)c(OC)c2)cc1CN1CCOCC1.Cl.Cl.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride?
The InChIKey is VQZWZTHBOUUQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4.2ClH/c1-26-21-6-5-19(14-20(21)17-25-10-12-29-13-11-25)16-24-9-8-18-4-7-22(27-2)23(15-18)28-3;;/h4-7,14-15,24H,8-13,16-17H2,1-3H3;2*1H.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride?
2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride has a molecular weight of 473.44 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride is sourced from PubChem (CID 17216059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).