N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine

C14H17F2N3O — CID 106565203

IUPACN-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1NCc1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3O/c1-10-9-19(5-6-20-2)14(18-10)17-8-11-3-4-12(15)13(16)7-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyKWSVYOMKIUUESZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.73
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine

N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106565203) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106565203
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1NCc1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3O/c1-10-9-19(5-6-20-2)14(18-10)17-8-11-3-4-12(15)13(16)7-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyKWSVYOMKIUUESZ-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554458
N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106560515
1-(2-methoxyethyl)-4-methyl-N-(thiophen-3-ylmethyl)imidazol-2-amine
CID 106571951
N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568956
N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106576976
1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568099
1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560922
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
1-(3-methoxypropyl)-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570758
1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
CID 106573359
N-[1-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106564579
1-(2-methoxyethyl)-4-methyl-N-[(2-methylcyclopropyl)methyl]imidazol-2-amine
CID 106580797

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106565203) is N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCn1cc(C)nc1NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is KWSVYOMKIUUESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-10-9-19(5-6-20-2)14(18-10)17-8-11-3-4-12(15)13(16)7-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 281.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106565203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).