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

C15H22BrNO — CID 55248457

IUPAC6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCOCC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrNO/c1-3-18-10-11(2)17-15-7-5-12-8-14(16)6-4-13(12)9-15/h4,6,8,11,15,17H,3,5,7,9-10H2,1-2H3
InChIKeyIZOBFRIINVBSDA-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.32
Rot. Bonds5

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

6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55248457) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55248457
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCOCC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrNO/c1-3-18-10-11(2)17-15-7-5-12-8-14(16)6-4-13(12)9-15/h4,6,8,11,15,17H,3,5,7,9-10H2,1-2H3
InChIKeyIZOBFRIINVBSDA-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.32
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-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55248457) is 6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCOCC(C)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IZOBFRIINVBSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-18-10-11(2)17-15-7-5-12-8-14(16)6-4-13(12)9-15/h4,6,8,11,15,17H,3,5,7,9-10H2,1-2H3.
What are the key properties of 6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 312.25 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55248457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).