(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine

C16H16ClFN2 — CID 103496697

IUPAC(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CCc3ccc(F)cc32)c(Cl)c1
InChIInChI=1S/C16H16ClFN2/c1-10(19)12-3-5-15(14(17)8-12)20-7-6-11-2-4-13(18)9-16(11)20/h2-5,8-10H,6-7,19H2,1H3/t10-/m0/s1
InChIKeyBHAUIDUTUKHJGB-JTQLQIEISA-N
MW290.77 g/mol
LogP4.19
Rot. Bonds2

About (1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine

(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine (PubChem CID 103496697) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
PubChem CID103496697
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CCc3ccc(F)cc32)c(Cl)c1
InChIInChI=1S/C16H16ClFN2/c1-10(19)12-3-5-15(14(17)8-12)20-7-6-11-2-4-13(18)9-16(11)20/h2-5,8-10H,6-7,19H2,1H3/t10-/m0/s1
InChIKeyBHAUIDUTUKHJGB-JTQLQIEISA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496695
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767
(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496814
1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498394
(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496718
(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498434
(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine
CID 63368334
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
[2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 103494043
2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
CID 103496794
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine (CID 103496697) is (1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine is C[C@H](N)c1ccc(N2CCc3ccc(F)cc32)c(Cl)c1.
What is the InChIKey of (1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The InChIKey is BHAUIDUTUKHJGB-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16ClFN2/c1-10(19)12-3-5-15(14(17)8-12)20-7-6-11-2-4-13(18)9-16(11)20/h2-5,8-10H,6-7,19H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine has a molecular weight of 290.77 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 103496697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).