(2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine

C11H14ClFN2 — CID 59886459

IUPAC(2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCc2cc(F)cc(Cl)c21
InChIInChI=1S/C11H14ClFN2/c1-7(14)6-15-3-2-8-4-9(13)5-10(12)11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
InChIKeyHBFZRTMXVJOJHS-ZETCQYMHSA-N
MW228.70 g/mol
LogP2.19
Rot. Bonds2

About (2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine

(2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine (PubChem CID 59886459) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is (2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
PubChem CID59886459
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name(2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCc2cc(F)cc(Cl)c21
InChIInChI=1S/C11H14ClFN2/c1-7(14)6-15-3-2-8-4-9(13)5-10(12)11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
InChIKeyHBFZRTMXVJOJHS-ZETCQYMHSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chloroindoline
CID 117596
7-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
CID 13869753
(S)-2-(6-Chloro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735313
(S)-2-(6-Chloro-5-fluoro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 44316017
7-chloro-2,3-dihydro-1H-indole
CID 11084082
5-chloro-2-methyl-2,3-dihydro-1H-indole
CID 59556818
1-(6-Chloro-2,3-dihydroindol-1-yl)propan-2-amine
CID 18735341
7-chloro-2,3-dihydro-1H-indole hydrochloride
CID 42935468
7-chloro-3,3-dimethyl-2,3-dihydro-1H-indole
CID 72698796
(2S)-5-chloro-2-methyl-indoline
CID 67140880
(2R)-5-chloro-2-methyl-indoline
CID 68677002
5-Chloro-7-fluoro-2-phenylindoline
CID 3319955

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine (CID 59886459) is (2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine is C[C@H](N)CN1CCc2cc(F)cc(Cl)c21.
What is the InChIKey of (2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine?
The InChIKey is HBFZRTMXVJOJHS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-7(14)6-15-3-2-8-4-9(13)5-10(12)11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine?
(2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine has a molecular weight of 228.70 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine is sourced from PubChem (CID 59886459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).