(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine

C16H15F2N3 — CID 103127986

IUPAC(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine
SMILESCc1ccc(F)c(C(N)c2nn(C)c3ccccc23)c1F
InChIInChI=1S/C16H15F2N3/c1-9-7-8-11(17)13(14(9)18)15(19)16-10-5-3-4-6-12(10)21(2)20-16/h3-8,15H,19H2,1-2H3
InChIKeyQYNYKJGNDTZQQH-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.21
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine

(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine (PubChem CID 103127986) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine
PubChem CID103127986
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine
SMILESCc1ccc(F)c(C(N)c2nn(C)c3ccccc23)c1F
InChIInChI=1S/C16H15F2N3/c1-9-7-8-11(17)13(14(9)18)15(19)16-10-5-3-4-6-12(10)21(2)20-16/h3-8,15H,19H2,1-2H3
InChIKeyQYNYKJGNDTZQQH-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 107516114
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105175854
3-(difluoromethyl)-1-methylindazole
CID 153487584
(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 103128231
(2-fluoro-5-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128770
cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine
CID 106657105
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103128466
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine (CID 103127986) is (2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine is Cc1ccc(F)c(C(N)c2nn(C)c3ccccc23)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine?
The InChIKey is QYNYKJGNDTZQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-9-7-8-11(17)13(14(9)18)15(19)16-10-5-3-4-6-12(10)21(2)20-16/h3-8,15H,19H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine?
(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine has a molecular weight of 287.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 103127986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).