N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine

C17H23FN4O — CID 42795755

IUPACN-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
SMILESFc1ccc(Cn2ccnc2CNCCN2CCOCC2)cc1
InChIInChI=1S/C17H23FN4O/c18-16-3-1-15(2-4-16)14-22-8-6-20-17(22)13-19-5-7-21-9-11-23-12-10-21/h1-4,6,8,19H,5,7,9-14H2
InChIKeyVOCRPVSFOOTRIT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.49
Rot. Bonds7

About N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine

N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 42795755) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID42795755
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
SMILESFc1ccc(Cn2ccnc2CNCCN2CCOCC2)cc1
InChIInChI=1S/C17H23FN4O/c18-16-3-1-15(2-4-16)14-22-8-6-20-17(22)13-19-5-7-21-9-11-23-12-10-21/h1-4,6,8,19H,5,7,9-14H2
InChIKeyVOCRPVSFOOTRIT-UHFFFAOYSA-N
XLogP1.49
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.49
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-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 46784360
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42819335
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408
3-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819336
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
N-[[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103038794
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17295333

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine (CID 42795755) is N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine is Fc1ccc(Cn2ccnc2CNCCN2CCOCC2)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is VOCRPVSFOOTRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c18-16-3-1-15(2-4-16)14-22-8-6-20-17(22)13-19-5-7-21-9-11-23-12-10-21/h1-4,6,8,19H,5,7,9-14H2.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 318.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 42795755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).