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

C15H16BrNO — CID 55248067

IUPAC6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCc1ccco1)C2
InChIInChI=1S/C15H16BrNO/c16-13-5-3-12-9-14(6-4-11(12)8-13)17-10-15-2-1-7-18-15/h1-3,5,7-8,14,17H,4,6,9-10H2
InChIKeyFUVUFKFMPOXLBE-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.69
Rot. Bonds3

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

6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55248067) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55248067
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCc1ccco1)C2
InChIInChI=1S/C15H16BrNO/c16-13-5-3-12-9-14(6-4-11(12)8-13)17-10-15-2-1-7-18-15/h1-3,5,7-8,14,17H,4,6,9-10H2
InChIKeyFUVUFKFMPOXLBE-UHFFFAOYSA-N
XLogP3.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55248067) is 6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Brc1ccc2c(c1)CCC(NCc1ccco1)C2.
What is the InChIKey of 6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FUVUFKFMPOXLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-13-5-3-12-9-14(6-4-11(12)8-13)17-10-15-2-1-7-18-15/h1-3,5,7-8,14,17H,4,6,9-10H2.
What are the key properties of 6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 306.20 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55248067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).