ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine

C19H23FN2 — CID 171644604

IUPACethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine
SMILESCC.Cc1cc(F)c(CCN)cc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C17H17FN2.C2H6/c1-11-8-15(18)12(6-7-19)9-14(11)17-10-13-4-2-3-5-16(13)20-17;1-2/h2-5,8-10,20H,6-7,19H2,1H3;1-2H3
InChIKeyKKKIFOVYBNSMBX-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.81
Rot. Bonds3

About ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine

ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine (PubChem CID 171644604) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine.

Molecular Properties

Compound Nameethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine
PubChem CID171644604
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Nameethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine
SMILESCC.Cc1cc(F)c(CCN)cc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C17H17FN2.C2H6/c1-11-8-15(18)12(6-7-19)9-14(11)17-10-13-4-2-3-5-16(13)20-17;1-2/h2-5,8-10,20H,6-7,19H2,1H3;1-2H3
InChIKeyKKKIFOVYBNSMBX-UHFFFAOYSA-N
XLogP4.81
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine?
The IUPAC name of ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine (CID 171644604) is ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine.
What is the SMILES notation for ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine?
The canonical SMILES for ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine is CC.Cc1cc(F)c(CCN)cc1-c1cc2ccccc2[nH]1.
What is the InChIKey of ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine?
The InChIKey is KKKIFOVYBNSMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2.C2H6/c1-11-8-15(18)12(6-7-19)9-14(11)17-10-13-4-2-3-5-16(13)20-17;1-2/h2-5,8-10,20H,6-7,19H2,1H3;1-2H3.
What are the key properties of ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine?
ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine has a molecular weight of 298.41 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine is sourced from PubChem (CID 171644604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).