(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol

C10H11ClN2O — CID 96776234

IUPAC(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
SMILESN[C@H](CO)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H11ClN2O/c11-6-1-2-10-7(3-6)8(4-13-10)9(12)5-14/h1-4,9,13-14H,5,12H2/t9-/m1/s1
InChIKeyVIVXSEBJZGUIAH-SECBINFHSA-N
MW210.66 g/mol
LogP1.81
Rot. Bonds2

About (2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol

(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol (PubChem CID 96776234) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
PubChem CID96776234
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
SMILESN[C@H](CO)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H11ClN2O/c11-6-1-2-10-7(3-6)8(4-13-10)9(12)5-14/h1-4,9,13-14H,5,12H2/t9-/m1/s1
InChIKeyVIVXSEBJZGUIAH-SECBINFHSA-N
XLogP1.81
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
CID 82758549
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
1-(5-chloro-1H-indol-3-yl)butan-1-ol
CID 118499287
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365
5-chloro-3-heptan-3-yl-1H-indole
CID 106985273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol (CID 96776234) is (2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol is N[C@H](CO)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol?
The InChIKey is VIVXSEBJZGUIAH-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-6-1-2-10-7(3-6)8(4-13-10)9(12)5-14/h1-4,9,13-14H,5,12H2/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol?
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol has a molecular weight of 210.66 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 96776234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).