6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

C14H20BrNO — CID 55248455

IUPAC6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOCC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H20BrNO/c1-10(9-17-2)16-14-6-4-11-7-13(15)5-3-12(11)8-14/h3,5,7,10,14,16H,4,6,8-9H2,1-2H3
InChIKeyUFRJPVMLHBYFDY-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.93
Rot. Bonds4

About 6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55248455) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55248455
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOCC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H20BrNO/c1-10(9-17-2)16-14-6-4-11-7-13(15)5-3-12(11)8-14/h3,5,7,10,14,16H,4,6,8-9H2,1-2H3
InChIKeyUFRJPVMLHBYFDY-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55248455) is 6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is COCC(C)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UFRJPVMLHBYFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(9-17-2)16-14-6-4-11-7-13(15)5-3-12(11)8-14/h3,5,7,10,14,16H,4,6,8-9H2,1-2H3.
What are the key properties of 6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 298.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55248455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).