1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine

C14H17F2N3O — CID 43493333

IUPAC1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
SMILESCCNC(Cc1ncc[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O/c1-2-17-12(9-13-18-7-8-19-13)10-3-5-11(6-4-10)20-14(15)16/h3-8,12,14,17H,2,9H2,1H3,(H,18,19)
InChIKeyYOALDNWXZNMXPO-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.90
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine

1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine (PubChem CID 43493333) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
PubChem CID43493333
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
SMILESCCNC(Cc1ncc[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O/c1-2-17-12(9-13-18-7-8-19-13)10-3-5-11(6-4-10)20-14(15)16/h3-8,12,14,17H,2,9H2,1H3,(H,18,19)
InChIKeyYOALDNWXZNMXPO-UHFFFAOYSA-N
XLogP2.90
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498005
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 54976408
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029421
1-(2,6-dichlorophenyl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 43493442
1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487092
2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine
CID 115849054
methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
CID 65234653
1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860987
N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine
CID 43493340
N-[1-(3-bromo-4-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 81471845
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
N-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-amine
CID 106561142

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine (CID 43493333) is 1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine is CCNC(Cc1ncc[nH]1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine?
The InChIKey is YOALDNWXZNMXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-2-17-12(9-13-18-7-8-19-13)10-3-5-11(6-4-10)20-14(15)16/h3-8,12,14,17H,2,9H2,1H3,(H,18,19).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine?
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine has a molecular weight of 281.31 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 43493333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).