[2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate

C19H22N2O2 — CID 155823409

IUPAC[2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate
SMILESCC(=O)[O-].Cn1cc(C(C[NH3+])c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2.C2H4O2/c1-19-12-16(14-9-5-6-10-17(14)19)15(11-18)13-7-3-2-4-8-13;1-2(3)4/h2-10,12,15H,11,18H2,1H3;1H3,(H,3,4)
InChIKeyPIBRTWLHPKTASH-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.31
Rot. Bonds3

About [2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate

[2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate (PubChem CID 155823409) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate.

Molecular Properties

Compound Name[2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate
PubChem CID155823409
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate
SMILESCC(=O)[O-].Cn1cc(C(C[NH3+])c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2.C2H4O2/c1-19-12-16(14-9-5-6-10-17(14)19)15(11-18)13-7-3-2-4-8-13;1-2(3)4/h2-10,12,15H,11,18H2,1H3;1H3,(H,3,4)
InChIKeyPIBRTWLHPKTASH-UHFFFAOYSA-N
XLogP1.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
CID 42774766
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
methyl (4S)-4-(1-methylindol-3-yl)-4-(4-methylphenyl)-2-oxobutanoate
CID 101458793
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
1-methyl-3-[2-nitro-1-(4-nitrophenyl)ethyl]indole
CID 135011392
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
CID 42774748
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
CID 101252968

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate?
The IUPAC name of [2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate (CID 155823409) is [2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate.
What is the SMILES notation for [2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate?
The canonical SMILES for [2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate is CC(=O)[O-].Cn1cc(C(C[NH3+])c2ccccc2)c2ccccc21.
What is the InChIKey of [2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate?
The InChIKey is PIBRTWLHPKTASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.C2H4O2/c1-19-12-16(14-9-5-6-10-17(14)19)15(11-18)13-7-3-2-4-8-13;1-2(3)4/h2-10,12,15H,11,18H2,1H3;1H3,(H,3,4).
What are the key properties of [2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate?
[2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate has a molecular weight of 310.40 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate is sourced from PubChem (CID 155823409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).