1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine

C16H15F2N3 — CID 114934339

IUPAC1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(Cc2c(F)cccc2F)c2ccccc12
InChIInChI=1S/C16H15F2N3/c1-19-9-15-11-5-2-3-8-16(11)21(20-15)10-12-13(17)6-4-7-14(12)18/h2-8,19H,9-10H2,1H3
InChIKeySSRUUZKRLLQOPF-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine

1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine (PubChem CID 114934339) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
PubChem CID114934339
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(Cc2c(F)cccc2F)c2ccccc12
InChIInChI=1S/C16H15F2N3/c1-19-9-15-11-5-2-3-8-16(11)21(20-15)10-12-13(17)6-4-7-14(12)18/h2-8,19H,9-10H2,1H3
InChIKeySSRUUZKRLLQOPF-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
CID 102620369
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine
CID 106731962
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015728
1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine
CID 103184311
1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine
CID 114934340
[1-[(2-chloro-3-fluorophenyl)methyl]indazol-3-yl]methanamine
CID 115984346
1-[3,5-diethyl-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697882
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
CID 65165688
[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine
CID 82925613
1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine
CID 106270947

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine (CID 114934339) is 1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine is CNCc1nn(Cc2c(F)cccc2F)c2ccccc12.
What is the InChIKey of 1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine?
The InChIKey is SSRUUZKRLLQOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-19-9-15-11-5-2-3-8-16(11)21(20-15)10-12-13(17)6-4-7-14(12)18/h2-8,19H,9-10H2,1H3.
What are the key properties of 1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine?
1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine has a molecular weight of 287.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114934339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).