[3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride

C12H16ClF2N3O — CID 19889722

IUPAC[3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride
SMILESCc1c(OC(F)F)cccc1C(N)C1=NCCN1.Cl
InChIInChI=1S/C12H15F2N3O.ClH/c1-7-8(10(15)11-16-5-6-17-11)3-2-4-9(7)18-12(13)14;/h2-4,10,12H,5-6,15H2,1H3,(H,16,17);1H
InChIKeyGJNMCXHZXZBIEJ-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.02
Rot. Bonds4

About [3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride

[3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride (PubChem CID 19889722) has the molecular formula C12H16ClF2N3O and a molecular weight of 291.73 g/mol. Its IUPAC name is [3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride
PubChem CID19889722
Molecular FormulaC12H16ClF2N3O
Molecular Weight291.73 g/mol
Exact Mass291.09
IUPAC Name[3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride
SMILESCc1c(OC(F)F)cccc1C(N)C1=NCCN1.Cl
InChIInChI=1S/C12H15F2N3O.ClH/c1-7-8(10(15)11-16-5-6-17-11)3-2-4-9(7)18-12(13)14;/h2-4,10,12H,5-6,15H2,1H3,(H,16,17);1H
InChIKeyGJNMCXHZXZBIEJ-UHFFFAOYSA-N
XLogP2.02
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride?
The IUPAC name of [3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride (CID 19889722) is [3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for [3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for [3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride is Cc1c(OC(F)F)cccc1C(N)C1=NCCN1.Cl.
What is the InChIKey of [3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride?
The InChIKey is GJNMCXHZXZBIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O.ClH/c1-7-8(10(15)11-16-5-6-17-11)3-2-4-9(7)18-12(13)14;/h2-4,10,12H,5-6,15H2,1H3,(H,16,17);1H.
What are the key properties of [3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride?
[3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride has a molecular weight of 291.73 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-2-methylphenyl]-(4,5-dihydro-1H-imidazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 19889722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).