6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C15H20BrNO2 — CID 63625878

IUPAC6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCC1COCCO1)C2
InChIInChI=1S/C15H20BrNO2/c16-13-3-1-12-8-14(4-2-11(12)7-13)17-9-15-10-18-5-6-19-15/h1,3,7,14-15,17H,2,4-6,8-10H2
InChIKeyIWSPCZGQTMWGMK-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.31
Rot. Bonds3

About 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625878) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625878
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCC1COCCO1)C2
InChIInChI=1S/C15H20BrNO2/c16-13-3-1-12-8-14(4-2-11(12)7-13)17-9-15-10-18-5-6-19-15/h1,3,7,14-15,17H,2,4-6,8-10H2
InChIKeyIWSPCZGQTMWGMK-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-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 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625878) is 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Brc1ccc2c(c1)CCC(NCC1COCCO1)C2.
What is the InChIKey of 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IWSPCZGQTMWGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-13-3-1-12-8-14(4-2-11(12)7-13)17-9-15-10-18-5-6-19-15/h1,3,7,14-15,17H,2,4-6,8-10H2.
What are the key properties of 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 326.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).