(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol

C11H13ClN2O — CID 95433072

IUPAC(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
SMILESCn1cc([C@@H](O)CN)c2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN2O/c1-14-6-9(11(15)5-13)8-3-2-7(12)4-10(8)14/h2-4,6,11,15H,5,13H2,1H3/t11-/m0/s1
InChIKeyCHOQLOMPZVSCAJ-NSHDSACASA-N
MW224.69 g/mol
LogP1.82
Rot. Bonds2

About (1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol

(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol (PubChem CID 95433072) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
PubChem CID95433072
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
SMILESCn1cc([C@@H](O)CN)c2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN2O/c1-14-6-9(11(15)5-13)8-3-2-7(12)4-10(8)14/h2-4,6,11,15H,5,13H2,1H3/t11-/m0/s1
InChIKeyCHOQLOMPZVSCAJ-NSHDSACASA-N
XLogP1.82
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
CID 11708776
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
CID 83976836
2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 82278863
2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83987645
2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 83976850
1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82499412
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
CID 162765497

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol?
The IUPAC name of (1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol (CID 95433072) is (1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol is Cn1cc([C@@H](O)CN)c2ccc(Cl)cc21.
What is the InChIKey of (1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol?
The InChIKey is CHOQLOMPZVSCAJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-14-6-9(11(15)5-13)8-3-2-7(12)4-10(8)14/h2-4,6,11,15H,5,13H2,1H3/t11-/m0/s1.
What are the key properties of (1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol?
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol has a molecular weight of 224.69 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol is sourced from PubChem (CID 95433072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).