(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine

C17H18FN3 — CID 81352245

IUPAC(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nn(C)c2ccccc12)c1cccc(F)c1
InChIInChI=1S/C17H18FN3/c1-12(13-6-5-7-14(18)10-13)19-11-16-15-8-3-4-9-17(15)21(2)20-16/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1
InChIKeyHUKPIPMTMVSUHR-GFCCVEGCSA-N
MW283.35 g/mol
LogP3.56
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine

(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine (PubChem CID 81352245) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
PubChem CID81352245
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nn(C)c2ccccc12)c1cccc(F)c1
InChIInChI=1S/C17H18FN3/c1-12(13-6-5-7-14(18)10-13)19-11-16-15-8-3-4-9-17(15)21(2)20-16/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1
InChIKeyHUKPIPMTMVSUHR-GFCCVEGCSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025
2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 79431452
(1S)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365053
1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63000435
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63001727
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 63001054
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine (CID 81352245) is (1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine is C[C@@H](NCc1nn(C)c2ccccc12)c1cccc(F)c1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The InChIKey is HUKPIPMTMVSUHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18FN3/c1-12(13-6-5-7-14(18)10-13)19-11-16-15-8-3-4-9-17(15)21(2)20-16/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine has a molecular weight of 283.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 81352245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).