N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride

C21H30Cl2N2O3 — CID 17216121

IUPACN-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
SMILESCOc1ccc(CNCc2ccc(OC)c(CN3CCOCC3)c2)cc1.Cl.Cl
InChIInChI=1S/C21H28N2O3.2ClH/c1-24-20-6-3-17(4-7-20)14-22-15-18-5-8-21(25-2)19(13-18)16-23-9-11-26-12-10-23;;/h3-8,13,22H,9-12,14-16H2,1-2H3;2*1H
InChIKeyPYNGXJBQKNZDHU-UHFFFAOYSA-N
MW429.39 g/mol
LogP3.67
Rot. Bonds8

About N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride

N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride (PubChem CID 17216121) has the molecular formula C21H30Cl2N2O3 and a molecular weight of 429.39 g/mol. Its IUPAC name is N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride.

Molecular Properties

Compound NameN-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
PubChem CID17216121
Molecular FormulaC21H30Cl2N2O3
Molecular Weight429.39 g/mol
Exact Mass428.16
IUPAC NameN-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
SMILESCOc1ccc(CNCc2ccc(OC)c(CN3CCOCC3)c2)cc1.Cl.Cl
InChIInChI=1S/C21H28N2O3.2ClH/c1-24-20-6-3-17(4-7-20)14-22-15-18-5-8-21(25-2)19(13-18)16-23-9-11-26-12-10-23;;/h3-8,13,22H,9-12,14-16H2,1-2H3;2*1H
InChIKeyPYNGXJBQKNZDHU-UHFFFAOYSA-N
XLogP3.67
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17216096
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737
2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216059
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
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
2-(cyclohexen-1-yl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216019
N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809930
O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117384193
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol
CID 17216054

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride?
The IUPAC name of N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride (CID 17216121) is N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride.
What is the SMILES notation for N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride?
The canonical SMILES for N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride is COc1ccc(CNCc2ccc(OC)c(CN3CCOCC3)c2)cc1.Cl.Cl.
What is the InChIKey of N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride?
The InChIKey is PYNGXJBQKNZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.2ClH/c1-24-20-6-3-17(4-7-20)14-22-15-18-5-8-21(25-2)19(13-18)16-23-9-11-26-12-10-23;;/h3-8,13,22H,9-12,14-16H2,1-2H3;2*1H.
What are the key properties of N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride?
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride has a molecular weight of 429.39 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride is sourced from PubChem (CID 17216121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).