5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine

C14H15F2N3O — CID 107683199

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2cc(OCc3nccn3C(F)F)ccc21
InChIInChI=1S/C14H15F2N3O/c15-14(16)19-6-5-18-13(19)8-20-10-2-3-11-9(7-10)1-4-12(11)17/h2-3,5-7,12,14H,1,4,8,17H2
InChIKeySIPWOLHQEKEXQA-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.80
Rot. Bonds4

About 5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine

5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683199) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID107683199
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2cc(OCc3nccn3C(F)F)ccc21
InChIInChI=1S/C14H15F2N3O/c15-14(16)19-6-5-18-13(19)8-20-10-2-3-11-9(7-10)1-4-12(11)17/h2-3,5-7,12,14H,1,4,8,17H2
InChIKeySIPWOLHQEKEXQA-UHFFFAOYSA-N
XLogP2.80
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683014
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 55191156
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
[5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2-pyridinyl]methanamine
CID 79788216
5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682901
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683060
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682898
(1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 106263043
(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 114200067

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine (CID 107683199) is 5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine is NC1CCc2cc(OCc3nccn3C(F)F)ccc21.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SIPWOLHQEKEXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-14(16)19-6-5-18-13(19)8-20-10-2-3-11-9(7-10)1-4-12(11)17/h2-3,5-7,12,14H,1,4,8,17H2.
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 279.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).