(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine

C15H19FN2 — CID 145343643

IUPAC(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine
SMILESC/C(N)=C/Cc1cn(C(C)C)c2ccc(F)cc12
InChIInChI=1S/C15H19FN2/c1-10(2)18-9-12(5-4-11(3)17)14-8-13(16)6-7-15(14)18/h4,6-10H,5,17H2,1-3H3/b11-4-
InChIKeyCLVHLHGVHOYJBV-WCIBSUBMSA-N
MW246.33 g/mol
LogP3.77
Rot. Bonds3

About (Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine

(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine (PubChem CID 145343643) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is (Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine
PubChem CID145343643
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine
SMILESC/C(N)=C/Cc1cn(C(C)C)c2ccc(F)cc12
InChIInChI=1S/C15H19FN2/c1-10(2)18-9-12(5-4-11(3)17)14-8-13(16)6-7-15(14)18/h4,6-10H,5,17H2,1-3H3/b11-4-
InChIKeyCLVHLHGVHOYJBV-WCIBSUBMSA-N
XLogP3.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine?
The IUPAC name of (Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine (CID 145343643) is (Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine.
What is the SMILES notation for (Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine?
The canonical SMILES for (Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine is C/C(N)=C/Cc1cn(C(C)C)c2ccc(F)cc12.
What is the InChIKey of (Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine?
The InChIKey is CLVHLHGVHOYJBV-WCIBSUBMSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10(2)18-9-12(5-4-11(3)17)14-8-13(16)6-7-15(14)18/h4,6-10H,5,17H2,1-3H3/b11-4-.
What are the key properties of (Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine?
(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine has a molecular weight of 246.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine is sourced from PubChem (CID 145343643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).