N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine

C18H17BrN2 — CID 63627087

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine
SMILESBrc1ccc2c(c1)CCC(Nc1ccc3[nH]ccc3c1)C2
InChIInChI=1S/C18H17BrN2/c19-15-3-1-13-10-16(4-2-12(13)9-15)21-17-5-6-18-14(11-17)7-8-20-18/h1,3,5-9,11,16,20-21H,2,4,10H2
InChIKeyOAPVJINEOGYBPY-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.90
Rot. Bonds2

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine (PubChem CID 63627087) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine
PubChem CID63627087
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine
SMILESBrc1ccc2c(c1)CCC(Nc1ccc3[nH]ccc3c1)C2
InChIInChI=1S/C18H17BrN2/c19-15-3-1-13-10-16(4-2-12(13)9-15)21-17-5-6-18-14(11-17)7-8-20-18/h1,3,5-9,11,16,20-21H,2,4,10H2
InChIKeyOAPVJINEOGYBPY-UHFFFAOYSA-N
XLogP4.90
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine
CID 43768671
6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625335
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine
CID 107587740
6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627787
N-(azepan-4-yl)-1H-indol-5-amine
CID 113361399
6-bromo-N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 65469337
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine
CID 63627298
6-bromo-N-(2,5-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626729
6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626750
6-bromo-N-cyclobutylnaphthalen-2-amine
CID 81260482

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine (CID 63627087) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine is Brc1ccc2c(c1)CCC(Nc1ccc3[nH]ccc3c1)C2.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine?
The InChIKey is OAPVJINEOGYBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c19-15-3-1-13-10-16(4-2-12(13)9-15)21-17-5-6-18-14(11-17)7-8-20-18/h1,3,5-9,11,16,20-21H,2,4,10H2.
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine has a molecular weight of 341.25 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine is sourced from PubChem (CID 63627087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).