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

C16H17BrN2 — CID 63627799

IUPAC6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCc1ccncc1)C2
InChIInChI=1S/C16H17BrN2/c17-15-3-1-14-10-16(4-2-13(14)9-15)19-11-12-5-7-18-8-6-12/h1,3,5-9,16,19H,2,4,10-11H2
InChIKeyPETIQFWMFHBMBF-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.49
Rot. Bonds3

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

6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63627799) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63627799
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCc1ccncc1)C2
InChIInChI=1S/C16H17BrN2/c17-15-3-1-14-10-16(4-2-13(14)9-15)19-11-12-5-7-18-8-6-12/h1,3,5-9,16,19H,2,4,10-11H2
InChIKeyPETIQFWMFHBMBF-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63627799) is 6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Brc1ccc2c(c1)CCC(NCc1ccncc1)C2.
What is the InChIKey of 6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PETIQFWMFHBMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-15-3-1-14-10-16(4-2-13(14)9-15)19-11-12-5-7-18-8-6-12/h1,3,5-9,16,19H,2,4,10-11H2.
What are the key properties of 6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 317.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63627799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).