2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine

C16H22N4O — CID 60658076

IUPAC2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
SMILESc1cn(CCNCc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C16H22N4O/c1-3-16(20-9-11-21-12-10-20)4-2-15(1)13-17-5-7-19-8-6-18-14-19/h1-4,6,8,14,17H,5,7,9-13H2
InChIKeyVFMDEVZOUFJABQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.51
Rot. Bonds6

About 2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine

2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine (PubChem CID 60658076) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
PubChem CID60658076
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
SMILESc1cn(CCNCc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C16H22N4O/c1-3-16(20-9-11-21-12-10-20)4-2-15(1)13-17-5-7-19-8-6-18-14-19/h1-4,6,8,14,17H,5,7,9-13H2
InChIKeyVFMDEVZOUFJABQ-UHFFFAOYSA-N
XLogP1.51
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
CID 63180015
2-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60658022
4-[(2-imidazol-1-ylethylamino)methyl]benzene-1,2-diol
CID 60664482
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
CID 115629182
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine
CID 17216138
1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732148
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 115690242
N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 79979594
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936698

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine (CID 60658076) is 2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine is c1cn(CCNCc2ccc(N3CCOCC3)cc2)cn1.
What is the InChIKey of 2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine?
The InChIKey is VFMDEVZOUFJABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-16(20-9-11-21-12-10-20)4-2-15(1)13-17-5-7-19-8-6-18-14-19/h1-4,6,8,14,17H,5,7,9-13H2.
What are the key properties of 2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine?
2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 60658076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).