N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine

C14H19FN2 — CID 82496402

IUPACN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
SMILESCc1[nH]c2ccc(F)cc2c1CCNC(C)C
InChIInChI=1S/C14H19FN2/c1-9(2)16-7-6-12-10(3)17-14-5-4-11(15)8-13(12)14/h4-5,8-9,16-17H,6-7H2,1-3H3
InChIKeyKSPCRVNGPZZRDE-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.16
Rot. Bonds4

About N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine (PubChem CID 82496402) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
PubChem CID82496402
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
SMILESCc1[nH]c2ccc(F)cc2c1CCNC(C)C
InChIInChI=1S/C14H19FN2/c1-9(2)16-7-6-12-10(3)17-14-5-4-11(15)8-13(12)14/h4-5,8-9,16-17H,6-7H2,1-3H3
InChIKeyKSPCRVNGPZZRDE-UHFFFAOYSA-N
XLogP3.16
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine (CID 82496402) is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine is Cc1[nH]c2ccc(F)cc2c1CCNC(C)C.
What is the InChIKey of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
The InChIKey is KSPCRVNGPZZRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-9(2)16-7-6-12-10(3)17-14-5-4-11(15)8-13(12)14/h4-5,8-9,16-17H,6-7H2,1-3H3.
What are the key properties of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine has a molecular weight of 234.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82496402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).