(4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C22H24FN3O — CID 38060530

IUPAC(4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@H]2NCc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C22H24FN3O/c1-26-22-8-4-7-21(19(22)14-25-26)24-13-16-9-11-18(12-10-16)27-15-17-5-2-3-6-20(17)23/h2-3,5-6,9-12,14,21,24H,4,7-8,13,15H2,1H3/t21-/m1/s1
InChIKeyYJGKOHOZCLNSCC-OAQYLSRUSA-N
MW365.45 g/mol
LogP4.31
Rot. Bonds6

About (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

(4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 38060530) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID38060530
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name(4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@H]2NCc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C22H24FN3O/c1-26-22-8-4-7-21(19(22)14-25-26)24-13-16-9-11-18(12-10-16)27-15-17-5-2-3-6-20(17)23/h2-3,5-6,9-12,14,21,24H,4,7-8,13,15H2,1H3/t21-/m1/s1
InChIKeyYJGKOHOZCLNSCC-OAQYLSRUSA-N
XLogP4.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254555
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol
CID 45170420
(4S)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060058
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103792573
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254628
3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]azepan-2-one
CID 11267874

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 38060530) is (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCC[C@H]2NCc1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is YJGKOHOZCLNSCC-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-26-22-8-4-7-21(19(22)14-25-26)24-13-16-9-11-18(12-10-16)27-15-17-5-2-3-6-20(17)23/h2-3,5-6,9-12,14,21,24H,4,7-8,13,15H2,1H3/t21-/m1/s1.
What are the key properties of (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 365.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 38060530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).