(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine

C11H13ClN2 — CID 95433151

IUPAC(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
SMILESC[C@@H](N)c1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C11H13ClN2/c1-7(13)10-6-14(2)11-5-8(12)3-4-9(10)11/h3-7H,13H2,1-2H3/t7-/m1/s1
InChIKeyOMCQSAHXFGWBFY-SSDOTTSWSA-N
MW208.69 g/mol
LogP2.85
Rot. Bonds1

About (1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine

(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine (PubChem CID 95433151) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
PubChem CID95433151
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
SMILESC[C@@H](N)c1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C11H13ClN2/c1-7(13)10-6-14(2)11-5-8(12)3-4-9(10)11/h3-7H,13H2,1-2H3/t7-/m1/s1
InChIKeyOMCQSAHXFGWBFY-SSDOTTSWSA-N
XLogP2.85
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
CID 11708776
2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
CID 83976836
1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine
CID 83868421
O-[(6-chloro-1-methylindol-3-yl)methyl]hydroxylamine
CID 117196287
2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83987645
ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate
CID 115073226
7-chloro-3-ethylsulfanyl-1-methylquinolin-4-one
CID 13188128
1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120939
1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine
CID 96900180
6-chloro-1-methyl-3-(methylsulfanylmethyl)indole
CID 117178628

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine?
The IUPAC name of (1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine (CID 95433151) is (1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine.
What is the SMILES notation for (1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine?
The canonical SMILES for (1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine is C[C@@H](N)c1cn(C)c2cc(Cl)ccc12.
What is the InChIKey of (1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine?
The InChIKey is OMCQSAHXFGWBFY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7(13)10-6-14(2)11-5-8(12)3-4-9(10)11/h3-7H,13H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine?
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine has a molecular weight of 208.69 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine is sourced from PubChem (CID 95433151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).