(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride

C13H17ClN2O — CID 171268278

IUPAC(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
SMILESCl.N[C@@H](c1ccc2cc[nH]c2c1)[C@H](O)C1CC1
InChIInChI=1S/C13H16N2O.ClH/c14-12(13(16)9-2-3-9)10-4-1-8-5-6-15-11(8)7-10;/h1,4-7,9,12-13,15-16H,2-3,14H2;1H/t12-,13+;/m0./s1
InChIKeyKLHPSYGESSWICE-JHEYCYPBSA-N
MW252.75 g/mol
LogP2.36
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride

(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride (PubChem CID 171268278) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
PubChem CID171268278
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
SMILESCl.N[C@@H](c1ccc2cc[nH]c2c1)[C@H](O)C1CC1
InChIInChI=1S/C13H16N2O.ClH/c14-12(13(16)9-2-3-9)10-4-1-8-5-6-15-11(8)7-10;/h1,4-7,9,12-13,15-16H,2-3,14H2;1H/t12-,13+;/m0./s1
InChIKeyKLHPSYGESSWICE-JHEYCYPBSA-N
XLogP2.36
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
CID 131064485
(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine
CID 130708718
(R)-1H-indol-6-yl(piperidin-4-yl)methanamine;hydrochloride
CID 171314371
(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171268293
(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171262620
(R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride
CID 171248195
(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride
CID 171262623
(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
CID 171205624
(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride
CID 171248192
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
CID 131447167
3-amino-1-(1H-indol-6-yl)propane-1,2-diol
CID 170828204
(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
CID 171261933

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride (CID 171268278) is (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride is Cl.N[C@@H](c1ccc2cc[nH]c2c1)[C@H](O)C1CC1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride?
The InChIKey is KLHPSYGESSWICE-JHEYCYPBSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c14-12(13(16)9-2-3-9)10-4-1-8-5-6-15-11(8)7-10;/h1,4-7,9,12-13,15-16H,2-3,14H2;1H/t12-,13+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride?
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride is sourced from PubChem (CID 171268278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).