(2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine

C11H15ClN2 — CID 18735313

IUPAC(2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCc2ccc(Cl)cc21
InChIInChI=1S/C11H15ClN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
InChIKeyXEAADXLKWPGODO-QMMMGPOBSA-N
MW210.71 g/mol
LogP2.05
Rot. Bonds2

About (2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine

(2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine (PubChem CID 18735313) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is (2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine
PubChem CID18735313
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name(2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCc2ccc(Cl)cc21
InChIInChI=1S/C11H15ClN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
InChIKeyXEAADXLKWPGODO-QMMMGPOBSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine (CID 18735313) is (2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine is C[C@H](N)CN1CCc2ccc(Cl)cc21.
What is the InChIKey of (2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine?
The InChIKey is XEAADXLKWPGODO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine?
(2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine has a molecular weight of 210.71 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-chloro-2,3-dihydroindol-1-yl)propan-2-amine is sourced from PubChem (CID 18735313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).