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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Related Compounds

N-methyl-2-(3-methyl-1-phenyl-2,3-dihydroindol-2-yl)ethanamine
CID 23457306
N-methyl-2-[1-(2-methylpropyl)-2,3-dihydroindol-3-yl]ethanamine
CID 115106414
(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 71387028
2-(1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 115106407
(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole
CID 163690232
2-[(3S)-2,2-dioxo-1-phenyl-4,2λ6,1-benzoxathiazin-3-yl]-N-methylethanamine
CID 59761313
(2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole
CID 118071267
N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106432
carbanide;trichlorotitanium(1+);1,2,3-trimethyl-4-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
CID 162297953
N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine
CID 155173592
4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 19898965
3-(2,2-dioxo-1-phenyl-4,2λ6,1-benzoxathiazin-3-yl)-N-methylpropan-1-amine
CID 24822175

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).