1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine

C18H17BrN2 — CID 81267157

IUPAC1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H17BrN2/c19-14-6-4-13-11-15(7-5-12(13)10-14)21-9-8-16-17(20)2-1-3-18(16)21/h4-11,17H,1-3,20H2
InChIKeyCGIAZWVOTAWXRA-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.73
Rot. Bonds1

About 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine

1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 81267157) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID81267157
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H17BrN2/c19-14-6-4-13-11-15(7-5-12(13)10-14)21-9-8-16-17(20)2-1-3-18(16)21/h4-11,17H,1-3,20H2
InChIKeyCGIAZWVOTAWXRA-UHFFFAOYSA-N
XLogP4.73
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine (CID 81267157) is 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine is NC1CCCc2c1ccn2-c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is CGIAZWVOTAWXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c19-14-6-4-13-11-15(7-5-12(13)10-14)21-9-8-16-17(20)2-1-3-18(16)21/h4-11,17H,1-3,20H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine?
1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 341.25 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 81267157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).