4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol

C18H20F2N2O2 — CID 129110010

IUPAC4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol
SMILESCN(N)c1cccc(C(F)F)c1COc1ccc(O)cc1C1CC1
InChIInChI=1S/C18H20F2N2O2/c1-22(21)16-4-2-3-13(18(19)20)15(16)10-24-17-8-7-12(23)9-14(17)11-5-6-11/h2-4,7-9,11,18,23H,5-6,10,21H2,1H3
InChIKeyDWWAQKBTTQUUBV-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.10
Rot. Bonds6

About 4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol

4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol (PubChem CID 129110010) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol.

Molecular Properties

Compound Name4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol
PubChem CID129110010
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol
SMILESCN(N)c1cccc(C(F)F)c1COc1ccc(O)cc1C1CC1
InChIInChI=1S/C18H20F2N2O2/c1-22(21)16-4-2-3-13(18(19)20)15(16)10-24-17-8-7-12(23)9-14(17)11-5-6-11/h2-4,7-9,11,18,23H,5-6,10,21H2,1H3
InChIKeyDWWAQKBTTQUUBV-UHFFFAOYSA-N
XLogP4.10
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol?
The IUPAC name of 4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol (CID 129110010) is 4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol.
What is the SMILES notation for 4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol?
The canonical SMILES for 4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol is CN(N)c1cccc(C(F)F)c1COc1ccc(O)cc1C1CC1.
What is the InChIKey of 4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol?
The InChIKey is DWWAQKBTTQUUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-22(21)16-4-2-3-13(18(19)20)15(16)10-24-17-8-7-12(23)9-14(17)11-5-6-11/h2-4,7-9,11,18,23H,5-6,10,21H2,1H3.
What are the key properties of 4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol?
4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol has a molecular weight of 334.37 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol is sourced from PubChem (CID 129110010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).