1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine

C17H18FN3 — CID 63816242

IUPAC1-(3-fluoro-4-indazol-1-ylphenyl)butan-2-amine
SMILESCCC(CC1=CC(=C(C=C1)N2C3=CC=CC=C3C=N2)F)N
InChIInChI=1S/C17H18FN3/c1-2-14(19)9-12-7-8-17(15(18)10-12)21-16-6-4-3-5-13(16)11-20-21/h3-8,10-11,14H,2,9,19H2,1H3
InChIKeyXHNXWMWSUVIGSQ-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine

1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine (PubChem CID 63816242) has the molecular formula C17H18FN3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-indazol-1-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine
PubChem CID63816242
Molecular FormulaC17H18FN3
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name1-(3-fluoro-4-indazol-1-ylphenyl)butan-2-amine
SMILESCCC(CC1=CC(=C(C=C1)N2C3=CC=CC=C3C=N2)F)N
InChIInChI=1S/C17H18FN3/c1-2-14(19)9-12-7-8-17(15(18)10-12)21-16-6-4-3-5-13(16)11-20-21/h3-8,10-11,14H,2,9,19H2,1H3
InChIKeyXHNXWMWSUVIGSQ-UHFFFAOYSA-N
XLogP3.60
TPSA43.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity338

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nerispirdine
CID 3081185
2-Methyl-2H-indazol-6-amine
CID 590220
1-benzyl-1H-indazole
CID 797066
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]methanesulfonamide
CID 24936311
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936314
3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251119
Nerispirdine hydrochloride
CID 9818503
1-Methyl-1H-indazole
CID 139456
1-methyl-1H-indazol-5-amine
CID 2768032
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
1-Phenyl-1H-indazole
CID 304268

Frequently Asked Questions

What is the IUPAC name of 1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine?
The IUPAC name of 1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine (CID 63816242) is 1-(3-fluoro-4-indazol-1-ylphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine?
The canonical SMILES for 1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine is CCC(CC1=CC(=C(C=C1)N2C3=CC=CC=C3C=N2)F)N.
What is the InChIKey of 1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine?
The InChIKey is XHNXWMWSUVIGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-2-14(19)9-12-7-8-17(15(18)10-12)21-16-6-4-3-5-13(16)11-20-21/h3-8,10-11,14H,2,9,19H2,1H3.
What are the key properties of 1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine?
1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine has a molecular weight of 283.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-Fluoro-4-indazol-1-ylphenyl)butan-2-amine is sourced from PubChem (CID 63816242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).