8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

C14H20BrN — CID 19823465

IUPAC8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCC(C)NC1CCc2cccc(Br)c2C1
InChIInChI=1S/C14H20BrN/c1-3-10(2)16-12-8-7-11-5-4-6-14(15)13(11)9-12/h4-6,10,12,16H,3,7-9H2,1-2H3
InChIKeyDWYGUJFMHZZHGR-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.69
Rot. Bonds3

About 8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 19823465) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID19823465
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCC(C)NC1CCc2cccc(Br)c2C1
InChIInChI=1S/C14H20BrN/c1-3-10(2)16-12-8-7-11-5-4-6-14(15)13(11)9-12/h4-6,10,12,16H,3,7-9H2,1-2H3
InChIKeyDWYGUJFMHZZHGR-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 19823465) is 8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is CCC(C)NC1CCc2cccc(Br)c2C1.
What is the InChIKey of 8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is DWYGUJFMHZZHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-3-10(2)16-12-8-7-11-5-4-6-14(15)13(11)9-12/h4-6,10,12,16H,3,7-9H2,1-2H3.
What are the key properties of 8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 282.22 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 19823465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).