3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine

C19H28N4O2 — CID 17216138

IUPAC3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine
SMILESCOc1ccc(CNCCCn2ccnc2)cc1CN1CCOCC1
InChIInChI=1S/C19H28N4O2/c1-24-19-4-3-17(13-18(19)15-22-9-11-25-12-10-22)14-20-5-2-7-23-8-6-21-16-23/h3-4,6,8,13,16,20H,2,5,7,9-12,14-15H2,1H3
InChIKeyMIHMGBLQZVPVMT-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.90
Rot. Bonds9

About 3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine

3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine (PubChem CID 17216138) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine
PubChem CID17216138
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine
SMILESCOc1ccc(CNCCCn2ccnc2)cc1CN1CCOCC1
InChIInChI=1S/C19H28N4O2/c1-24-19-4-3-17(13-18(19)15-22-9-11-25-12-10-22)14-20-5-2-7-23-8-6-21-16-23/h3-4,6,8,13,16,20H,2,5,7,9-12,14-15H2,1H3
InChIKeyMIHMGBLQZVPVMT-UHFFFAOYSA-N
XLogP1.90
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.90
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

1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625014
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17216096
2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216059
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
3-imidazol-1-yl-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 54848745
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
3-imidazol-1-yl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 54848716
3-imidazol-1-yl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156153
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
CID 61069061
2-(cyclohexen-1-yl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216019

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine (CID 17216138) is 3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine is COc1ccc(CNCCCn2ccnc2)cc1CN1CCOCC1.
What is the InChIKey of 3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine?
The InChIKey is MIHMGBLQZVPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-24-19-4-3-17(13-18(19)15-22-9-11-25-12-10-22)14-20-5-2-7-23-8-6-21-16-23/h3-4,6,8,13,16,20H,2,5,7,9-12,14-15H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine?
3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine has a molecular weight of 344.46 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 17216138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).