6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

C14H18BrN — CID 115727894

IUPAC6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H18BrN/c1-3-10(2)16-14-7-5-11-8-13(15)6-4-12(11)9-14/h3-4,6,8,10,14,16H,1,5,7,9H2,2H3
InChIKeyWCALNOSZIBPJSF-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.47
Rot. Bonds3

About 6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115727894) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115727894
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H18BrN/c1-3-10(2)16-14-7-5-11-8-13(15)6-4-12(11)9-14/h3-4,6,8,10,14,16H,1,5,7,9H2,2H3
InChIKeyWCALNOSZIBPJSF-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81385547
6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249808
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
CID 63626390
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81354123
6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81369780
6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249417
6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625695
1-N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 63626053
6-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115726927
6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106226118
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 104925952
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115727894) is 6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is C=CC(C)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WCALNOSZIBPJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c1-3-10(2)16-14-7-5-11-8-13(15)6-4-12(11)9-14/h3-4,6,8,10,14,16H,1,5,7,9H2,2H3.
What are the key properties of 6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 280.21 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115727894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).