[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium

C17H19N2O+ — CID 7061229

IUPAC[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1[C@@H](C[NH3+])c1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O/c1-20-17-9-5-3-7-13(17)14(10-18)15-11-19-16-8-4-2-6-12(15)16/h2-9,11,14,19H,10,18H2,1H3/p+1/t14-/m1/s1
InChIKeyWNFPDZUJNUFUCL-CQSZACIVSA-O
MW267.35 g/mol
LogP2.55
Rot. Bonds4

About [(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium

[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium (PubChem CID 7061229) has the molecular formula C17H19N2O+ and a molecular weight of 267.35 g/mol. Its IUPAC name is [(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium
PubChem CID7061229
Molecular FormulaC17H19N2O+
Molecular Weight267.35 g/mol
Exact Mass267.15
IUPAC Name[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1[C@@H](C[NH3+])c1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O/c1-20-17-9-5-3-7-13(17)14(10-18)15-11-19-16-8-4-2-6-12(15)16/h2-9,11,14,19H,10,18H2,1H3/p+1/t14-/m1/s1
InChIKeyWNFPDZUJNUFUCL-CQSZACIVSA-O
XLogP2.55
TPSA52.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 2113395
3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 24764118
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 41090894
3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole
CID 102365176
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
3-[(2-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-1H-indole
CID 162689484
methyl (2S)-2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]propanoate
CID 8645460
(2S)-2-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1H-indol-3-yl)ethanamine
CID 8645493
1-cyclohexyl-3-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiourea
CID 46800445
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 24634626
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119681775
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium?
The IUPAC name of [(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium (CID 7061229) is [(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for [(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium?
The canonical SMILES for [(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium is COc1ccccc1[C@@H](C[NH3+])c1c[nH]c2ccccc12.
What is the InChIKey of [(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium?
The InChIKey is WNFPDZUJNUFUCL-CQSZACIVSA-O. The full InChI is InChI=1S/C17H18N2O/c1-20-17-9-5-3-7-13(17)14(10-18)15-11-19-16-8-4-2-6-12(15)16/h2-9,11,14,19H,10,18H2,1H3/p+1/t14-/m1/s1.
What are the key properties of [(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium?
[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium has a molecular weight of 267.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 7061229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).