N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine

C11H13ClN2 — CID 117180309

IUPACN-[(6-chloro-1H-indol-2-yl)methyl]ethanamine
SMILESCCNCc1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H13ClN2/c1-2-13-7-10-5-8-3-4-9(12)6-11(8)14-10/h3-6,13-14H,2,7H2,1H3
InChIKeyASOAFNAJUXCENR-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.93
Rot. Bonds3

About N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine

N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine (PubChem CID 117180309) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-2-yl)methyl]ethanamine
PubChem CID117180309
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC NameN-[(6-chloro-1H-indol-2-yl)methyl]ethanamine
SMILESCCNCc1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H13ClN2/c1-2-13-7-10-5-8-3-4-9(12)6-11(8)14-10/h3-6,13-14H,2,7H2,1H3
InChIKeyASOAFNAJUXCENR-UHFFFAOYSA-N
XLogP2.93
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(6-fluoro-1H-indol-2-yl)methyl]ethanamine
CID 117180302
N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 125481816
2-(6-chloro-1H-indol-2-yl)ethanol
CID 83674317
N-[(5-chloro-1H-indol-2-yl)methyl]butan-1-amine
CID 134859783
3-(6-chloro-1H-indol-2-yl)propan-1-ol
CID 119085344
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
diethyl 2-[3-(6-chloro-1H-indol-2-yl)propanoylamino]propanedioate
CID 53408152
5-chloro-2-(ethoxymethyl)-1H-indole
CID 117176866
6-chloro-2-propan-2-yl-1H-indole;ethane
CID 176573496
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine
CID 115763447

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine (CID 117180309) is N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine is CCNCc1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine?
The InChIKey is ASOAFNAJUXCENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-2-13-7-10-5-8-3-4-9(12)6-11(8)14-10/h3-6,13-14H,2,7H2,1H3.
What are the key properties of N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine?
N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine has a molecular weight of 208.69 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine is sourced from PubChem (CID 117180309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).