(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride

C11H15ClN2O2 — CID 171199760

IUPAC(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
SMILESCOc1ccc2[nH]cc([C@H](N)CO)c2c1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-15-7-2-3-11-8(4-7)9(5-13-11)10(12)6-14;/h2-5,10,13-14H,6,12H2,1H3;1H/t10-;/m1./s1
InChIKeyNKJTXVJFWAJEBM-HNCPQSOCSA-N
MW242.71 g/mol
LogP1.59
Rot. Bonds3

About (2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride

(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride (PubChem CID 171199760) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
PubChem CID171199760
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
SMILESCOc1ccc2[nH]cc([C@H](N)CO)c2c1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-15-7-2-3-11-8(4-7)9(5-13-11)10(12)6-14;/h2-5,10,13-14H,6,12H2,1H3;1H/t10-;/m1./s1
InChIKeyNKJTXVJFWAJEBM-HNCPQSOCSA-N
XLogP1.59
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171199753
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol
CID 171246174
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834
methyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171239452
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride (CID 171199760) is (2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride is COc1ccc2[nH]cc([C@H](N)CO)c2c1.Cl.
What is the InChIKey of (2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride?
The InChIKey is NKJTXVJFWAJEBM-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c1-15-7-2-3-11-8(4-7)9(5-13-11)10(12)6-14;/h2-5,10,13-14H,6,12H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride?
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride is sourced from PubChem (CID 171199760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).