2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine

C17H22FN3 — CID 82592784

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
SMILESCc1nn(Cc2ccccc2F)c2c1C(CCN)CCC2
InChIInChI=1S/C17H22FN3/c1-12-17-13(9-10-19)6-4-8-16(17)21(20-12)11-14-5-2-3-7-15(14)18/h2-3,5,7,13H,4,6,8-11,19H2,1H3
InChIKeyDJBUMDWSZNCDTL-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.15
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine

2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine (PubChem CID 82592784) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
PubChem CID82592784
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
SMILESCc1nn(Cc2ccccc2F)c2c1C(CCN)CCC2
InChIInChI=1S/C17H22FN3/c1-12-17-13(9-10-19)6-4-8-16(17)21(20-12)11-14-5-2-3-7-15(14)18/h2-3,5,7,13H,4,6,8-11,19H2,1H3
InChIKeyDJBUMDWSZNCDTL-UHFFFAOYSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591417
3-[4-(2-aminoethyl)-3-methyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 82592776
2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591421
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295
(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
CID 82593140
1-cyclohexyl-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17383040
1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole
CID 53391158
ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 142348087
ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 144540735
3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 82592828
(5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 66807176
(8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84740960

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine (CID 82592784) is 2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine is Cc1nn(Cc2ccccc2F)c2c1C(CCN)CCC2.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The InChIKey is DJBUMDWSZNCDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-12-17-13(9-10-19)6-4-8-16(17)21(20-12)11-14-5-2-3-7-15(14)18/h2-3,5,7,13H,4,6,8-11,19H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine is sourced from PubChem (CID 82592784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).