6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine

C14H20BrN — CID 63625845

IUPAC6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H20BrN/c1-2-3-8-16-14-7-5-11-9-13(15)6-4-12(11)10-14/h4,6,9,14,16H,2-3,5,7-8,10H2,1H3
InChIKeyMYOSRCHSZLJYFR-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.70
Rot. Bonds4

About 6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625845) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625845
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H20BrN/c1-2-3-8-16-14-7-5-11-9-13(15)6-4-12(11)10-14/h4,6,9,14,16H,2-3,5,7-8,10H2,1H3
InChIKeyMYOSRCHSZLJYFR-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625845) is 6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MYOSRCHSZLJYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-3-8-16-14-7-5-11-9-13(15)6-4-12(11)10-14/h4,6,9,14,16H,2-3,5,7-8,10H2,1H3.
What are the key properties of 6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 282.22 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).