N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine

C21H23FN2O — CID 23519034

IUPACN-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCC2CC2c2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C21H23FN2O/c1-25-17-5-2-14(3-6-17)8-9-23-12-15-10-18(15)20-13-24-21-7-4-16(22)11-19(20)21/h2-7,11,13,15,18,23-24H,8-10,12H2,1H3
InChIKeyQSNHANBVIWJOLY-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.25
Rot. Bonds7

About N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine

N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 23519034) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID23519034
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCC2CC2c2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C21H23FN2O/c1-25-17-5-2-14(3-6-17)8-9-23-12-15-10-18(15)20-13-24-21-7-4-16(22)11-19(20)21/h2-7,11,13,15,18,23-24H,8-10,12H2,1H3
InChIKeyQSNHANBVIWJOLY-UHFFFAOYSA-N
XLogP4.25
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
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-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine (CID 23519034) is N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCC2CC2c2c[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is QSNHANBVIWJOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-25-17-5-2-14(3-6-17)8-9-23-12-15-10-18(15)20-13-24-21-7-4-16(22)11-19(20)21/h2-7,11,13,15,18,23-24H,8-10,12H2,1H3.
What are the key properties of N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine?
N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 338.43 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 23519034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).