3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine

C21H31FN4O — CID 86984388

IUPAC3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine
SMILESCCC(CC)C(CNCc1ccc(-n2ccnc2)c(F)c1)N1CCOCC1
InChIInChI=1S/C21H31FN4O/c1-3-18(4-2)21(25-9-11-27-12-10-25)15-24-14-17-5-6-20(19(22)13-17)26-8-7-23-16-26/h5-8,13,16,18,21,24H,3-4,9-12,14-15H2,1-2H3
InChIKeyYINNWSYZCAUBIK-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.24
Rot. Bonds9

About 3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine

3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine (PubChem CID 86984388) has the molecular formula C21H31FN4O and a molecular weight of 374.50 g/mol. Its IUPAC name is 3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine
PubChem CID86984388
Molecular FormulaC21H31FN4O
Molecular Weight374.50 g/mol
Exact Mass374.25
IUPAC Name3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine
SMILESCCC(CC)C(CNCc1ccc(-n2ccnc2)c(F)c1)N1CCOCC1
InChIInChI=1S/C21H31FN4O/c1-3-18(4-2)21(25-9-11-27-12-10-25)15-24-14-17-5-6-20(19(22)13-17)26-8-7-23-16-26/h5-8,13,16,18,21,24H,3-4,9-12,14-15H2,1-2H3
InChIKeyYINNWSYZCAUBIK-UHFFFAOYSA-N
XLogP3.24
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine?
The IUPAC name of 3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine (CID 86984388) is 3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine.
What is the SMILES notation for 3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine?
The canonical SMILES for 3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine is CCC(CC)C(CNCc1ccc(-n2ccnc2)c(F)c1)N1CCOCC1.
What is the InChIKey of 3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine?
The InChIKey is YINNWSYZCAUBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O/c1-3-18(4-2)21(25-9-11-27-12-10-25)15-24-14-17-5-6-20(19(22)13-17)26-8-7-23-16-26/h5-8,13,16,18,21,24H,3-4,9-12,14-15H2,1-2H3.
What are the key properties of 3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine?
3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine has a molecular weight of 374.50 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-morpholin-4-ylpentan-1-amine is sourced from PubChem (CID 86984388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).