1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine

C13H16ClFN2 — CID 18986295

IUPAC1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine
SMILESCCc1cn(CC(C)N)c2ccc(F)c(Cl)c12
InChIInChI=1S/C13H16ClFN2/c1-3-9-7-17(6-8(2)16)11-5-4-10(15)13(14)12(9)11/h4-5,7-8H,3,6,16H2,1-2H3
InChIKeyNNLJUILDXADSGE-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine

1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine (PubChem CID 18986295) has the molecular formula C13H16ClFN2 and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine
PubChem CID18986295
Molecular FormulaC13H16ClFN2
Molecular Weight254.74 g/mol
Exact Mass254.10
IUPAC Name1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine
SMILESCCc1cn(CC(C)N)c2ccc(F)c(Cl)c12
InChIInChI=1S/C13H16ClFN2/c1-3-9-7-17(6-8(2)16)11-5-4-10(15)13(14)12(9)11/h4-5,7-8H,3,6,16H2,1-2H3
InChIKeyNNLJUILDXADSGE-UHFFFAOYSA-N
XLogP3.34
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine
CID 22363310
(E)-but-2-enedioic acid;(2S)-1-(6-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine
CID 67737696
3-ethyl-4,5-difluoro-1-methylindole
CID 126610746
[1-[(2S)-2-aminopropyl]-6-chloroindol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 46898555
1-(3-ethyl-4-fluorophenyl)propan-2-amine
CID 117278913
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265955
(2R)-1-[5-[(2-fluorophenyl)methoxy]indol-1-yl]propan-2-amine
CID 168939605
(2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid
CID 171702806
1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile
CID 126981949
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine?
The IUPAC name of 1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine (CID 18986295) is 1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine is CCc1cn(CC(C)N)c2ccc(F)c(Cl)c12.
What is the InChIKey of 1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine?
The InChIKey is NNLJUILDXADSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2/c1-3-9-7-17(6-8(2)16)11-5-4-10(15)13(14)12(9)11/h4-5,7-8H,3,6,16H2,1-2H3.
What are the key properties of 1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine?
1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine has a molecular weight of 254.74 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine is sourced from PubChem (CID 18986295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).