N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine

C18H22N2 — CID 54403662

IUPACN-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine
SMILESCNCC[C@@H]1[C@@H](C)c2ccccc2N1c1ccccc1
InChIInChI=1S/C18H22N2/c1-14-16-10-6-7-11-18(16)20(17(14)12-13-19-2)15-8-4-3-5-9-15/h3-11,14,17,19H,12-13H2,1-2H3/t14-,17+/m0/s1
InChIKeyVPEGEZBXBGYVIS-WMLDXEAASA-N
MW266.39 g/mol
LogP3.92
Rot. Bonds4

About N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine

N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine (PubChem CID 54403662) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine
PubChem CID54403662
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine
SMILESCNCC[C@@H]1[C@@H](C)c2ccccc2N1c1ccccc1
InChIInChI=1S/C18H22N2/c1-14-16-10-6-7-11-18(16)20(17(14)12-13-19-2)15-8-4-3-5-9-15/h3-11,14,17,19H,12-13H2,1-2H3/t14-,17+/m0/s1
InChIKeyVPEGEZBXBGYVIS-WMLDXEAASA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine (CID 54403662) is N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine is CNCC[C@@H]1[C@@H](C)c2ccccc2N1c1ccccc1.
What is the InChIKey of N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine?
The InChIKey is VPEGEZBXBGYVIS-WMLDXEAASA-N. The full InChI is InChI=1S/C18H22N2/c1-14-16-10-6-7-11-18(16)20(17(14)12-13-19-2)15-8-4-3-5-9-15/h3-11,14,17,19H,12-13H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine?
N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R,3S)-3-methyl-1-phenyl-2,3-dihydroindol-2-yl]ethanamine is sourced from PubChem (CID 54403662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).