2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol

C13H18BrNO — CID 63626390

IUPAC2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
SMILESCC(CO)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H18BrNO/c1-9(8-16)15-13-5-3-10-6-12(14)4-2-11(10)7-13/h2,4,6,9,13,15-16H,3,5,7-8H2,1H3
InChIKeyZXRAOHVSWYGQSF-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.28
Rot. Bonds3

About 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol

2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol (PubChem CID 63626390) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
PubChem CID63626390
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
SMILESCC(CO)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H18BrNO/c1-9(8-16)15-13-5-3-10-6-12(14)4-2-11(10)7-13/h2,4,6,9,13,15-16H,3,5,7-8H2,1H3
InChIKeyZXRAOHVSWYGQSF-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol (CID 63626390) is 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol is CC(CO)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol?
The InChIKey is ZXRAOHVSWYGQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(8-16)15-13-5-3-10-6-12(14)4-2-11(10)7-13/h2,4,6,9,13,15-16H,3,5,7-8H2,1H3.
What are the key properties of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol?
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol has a molecular weight of 284.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol is sourced from PubChem (CID 63626390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).