N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine

C12H21F2N3 — CID 63837939

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCc1nccn1C(F)F
InChIInChI=1S/C12H21F2N3/c1-4-10(5-2)9(3)16-8-11-15-6-7-17(11)12(13)14/h6-7,9-10,12,16H,4-5,8H2,1-3H3
InChIKeyFJQCDMNLBLEXHV-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.19
Rot. Bonds7

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine (PubChem CID 63837939) has the molecular formula C12H21F2N3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine
PubChem CID63837939
Molecular FormulaC12H21F2N3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCc1nccn1C(F)F
InChIInChI=1S/C12H21F2N3/c1-4-10(5-2)9(3)16-8-11-15-6-7-17(11)12(13)14/h6-7,9-10,12,16H,4-5,8H2,1-3H3
InChIKeyFJQCDMNLBLEXHV-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
CID 43111973
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine
CID 115714090
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
CID 43416447
(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
CID 79250495
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylsulfanylpropan-2-amine
CID 115660800
1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine
CID 115714091
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylbutan-1-amine
CID 115641650
(1S)-1-cycloheptyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 81391865
(1S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-thiophen-2-ylethanamine
CID 81408360
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline
CID 43112046
1-(difluoromethyl)-2-(3-methylbutyl)imidazole
CID 170928418
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline
CID 43111999

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine (CID 63837939) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine is CCC(CC)C(C)NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine?
The InChIKey is FJQCDMNLBLEXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3/c1-4-10(5-2)9(3)16-8-11-15-6-7-17(11)12(13)14/h6-7,9-10,12,16H,4-5,8H2,1-3H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine has a molecular weight of 245.32 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine is sourced from PubChem (CID 63837939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).