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

C11H12ClFN2 — CID 10704473

IUPAC(2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine
SMILESC[C@H](N)Cn1ccc2c(Cl)c(F)ccc21
InChIInChI=1S/C11H12ClFN2/c1-7(14)6-15-5-4-8-10(15)3-2-9(13)11(8)12/h2-5,7H,6,14H2,1H3/t7-/m0/s1
InChIKeyBJHBBPWFHWHWOG-ZETCQYMHSA-N
MW226.68 g/mol
LogP2.78
Rot. Bonds2

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

(2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine (PubChem CID 10704473) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is (2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine
PubChem CID10704473
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name(2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine
SMILESC[C@H](N)Cn1ccc2c(Cl)c(F)ccc21
InChIInChI=1S/C11H12ClFN2/c1-7(14)6-15-5-4-8-10(15)3-2-9(13)11(8)12/h2-5,7H,6,14H2,1H3/t7-/m0/s1
InChIKeyBJHBBPWFHWHWOG-ZETCQYMHSA-N
XLogP2.78
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1H-indole-3-ethylamine
CID 23492
1H-Indole-1-ethanamine, 6-chloro-5-fluoro-alpha-methyl-, (alphaS)-, (2E)-2-butenedioate (1:1)
CID 6446435
5-Fluoro-alpha-methyltryptamine
CID 12834
5-Chloro-alphamt
CID 12833
(S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine
CID 10330734
2-(1H-indol-1-yl)ethanamine
CID 258690
(S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 3045227
(R,S)-1-(5-chloro-1H-indol-1-yl)propan-2-amine
CID 9855823
(R,S)-1-(5-fluoro-1H-indol-1-yl)propan-2-amine
CID 9964324
1-(6-Fluoroindol-1-yl)propan-2-amine
CID 10679289
(R,S)-1-(5-methyl-1H-indol-1-yl)propan-2-amine
CID 10845306
[2-(4-Fluoro-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 11492162

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine (CID 10704473) is (2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine is C[C@H](N)Cn1ccc2c(Cl)c(F)ccc21.
What is the InChIKey of (2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine?
The InChIKey is BJHBBPWFHWHWOG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12ClFN2/c1-7(14)6-15-5-4-8-10(15)3-2-9(13)11(8)12/h2-5,7H,6,14H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine?
(2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine has a molecular weight of 226.68 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine is sourced from PubChem (CID 10704473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).