N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine

C14H17FN2 — CID 67231965

IUPACN-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine
SMILESFC1=CCC2=NC=C(CCNCC3CC3)C2=C1
InChIInChI=1S/C14H17FN2/c15-12-3-4-14-13(7-12)11(9-17-14)5-6-16-8-10-1-2-10/h3,7,9-10,16H,1-2,4-6,8H2
InChIKeyHEERFINGZLPDTA-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.90
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine

N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine (PubChem CID 67231965) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine
PubChem CID67231965
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC NameN-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine
SMILESFC1=CCC2=NC=C(CCNCC3CC3)C2=C1
InChIInChI=1S/C14H17FN2/c15-12-3-4-14-13(7-12)11(9-17-14)5-6-16-8-10-1-2-10/h3,7,9-10,16H,1-2,4-6,8H2
InChIKeyHEERFINGZLPDTA-UHFFFAOYSA-N
XLogP2.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine (CID 67231965) is N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine is FC1=CCC2=NC=C(CCNCC3CC3)C2=C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine?
The InChIKey is HEERFINGZLPDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-12-3-4-14-13(7-12)11(9-17-14)5-6-16-8-10-1-2-10/h3,7,9-10,16H,1-2,4-6,8H2.
What are the key properties of N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine?
N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine has a molecular weight of 232.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine is sourced from PubChem (CID 67231965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).