4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine

C16H24FN3 — CID 107443594

IUPAC4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
SMILESCCn1nc(CC(F)C(CN)C(C)C)c2ccccc21
InChIInChI=1S/C16H24FN3/c1-4-20-16-8-6-5-7-12(16)15(19-20)9-14(17)13(10-18)11(2)3/h5-8,11,13-14H,4,9-10,18H2,1-3H3
InChIKeyKLXABSQWZVDRCW-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.17
Rot. Bonds6

About 4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine

4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine (PubChem CID 107443594) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
PubChem CID107443594
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
SMILESCCn1nc(CC(F)C(CN)C(C)C)c2ccccc21
InChIInChI=1S/C16H24FN3/c1-4-20-16-8-6-5-7-12(16)15(19-20)9-14(17)13(10-18)11(2)3/h5-8,11,13-14H,4,9-10,18H2,1-3H3
InChIKeyKLXABSQWZVDRCW-UHFFFAOYSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614
1-(1-ethylindazol-3-yl)-4-methylhexan-2-ol
CID 115813664
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346080
3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339
1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
CID 79087674
[1-[(1-ethylindazol-3-yl)methyl]cyclopropyl]methanamine
CID 66026848
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988
N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine
CID 81012209
1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
CID 106695746

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine (CID 107443594) is 4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine is CCn1nc(CC(F)C(CN)C(C)C)c2ccccc21.
What is the InChIKey of 4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine?
The InChIKey is KLXABSQWZVDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-4-20-16-8-6-5-7-12(16)15(19-20)9-14(17)13(10-18)11(2)3/h5-8,11,13-14H,4,9-10,18H2,1-3H3.
What are the key properties of 4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine?
4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 107443594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).