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

C11H18F2N4O — CID 43088545

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
SMILESFC(F)n1ccnc1CNCCN1CCOCC1
InChIInChI=1S/C11H18F2N4O/c12-11(13)17-4-2-15-10(17)9-14-1-3-16-5-7-18-8-6-16/h2,4,11,14H,1,3,5-9H2
InChIKeyDICBSEUDNZWELB-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.70
Rot. Bonds6

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 43088545) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID43088545
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
SMILESFC(F)n1ccnc1CNCCN1CCOCC1
InChIInChI=1S/C11H18F2N4O/c12-11(13)17-4-2-15-10(17)9-14-1-3-16-5-7-18-8-6-16/h2,4,11,14H,1,3,5-9H2
InChIKeyDICBSEUDNZWELB-UHFFFAOYSA-N
XLogP0.70
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.70
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

4-(1H-imidazol-2-ylmethyl)morpholine
CID 272246
N-(2-imidazol-1-ylethyl)-3-methylmorpholine-4-carboxamide
CID 71894039
4-[2-(2-Methylimidazol-1-yl)ethyl]morpholine
CID 56798444
4-{[1-(prop-2-yn-1-yl)-1H-imidazol-2-yl]methyl}morpholine
CID 13043020
1-(2-methoxyethyl)-3-(2-(2-methyl-1H-imidazol-1-yl)ethyl)urea
CID 49670915
4-(1-Methyl-1H-imidazol-2-yl)-morpholine
CID 13034373
Morpholine, 4-(1H-imidazol-2-yl)-
CID 22918961
1-{[1-(difluoromethyl)-1H-imidazol-2-yl]methyl}piperazine
CID 16227164
2,2-difluoro-N-(2-{4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}ethyl)acetamide
CID 56739423
({4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}methyl)amine
CID 56752745
3-(2-Methoxyethyl)-1-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]urea
CID 72022858
[(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-piperidinyl)methyl]methylamine dihydrochloride
CID 74247070

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine (CID 43088545) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine is FC(F)n1ccnc1CNCCN1CCOCC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is DICBSEUDNZWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c12-11(13)17-4-2-15-10(17)9-14-1-3-16-5-7-18-8-6-16/h2,4,11,14H,1,3,5-9H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 260.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 43088545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).