4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine

C14H18BrNO — CID 67273086

IUPAC4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine
SMILESBrc1ccc2c(c1)CCC(N1CCOCC1)C2
InChIInChI=1S/C14H18BrNO/c15-13-3-1-12-10-14(4-2-11(12)9-13)16-5-7-17-8-6-16/h1,3,9,14H,2,4-8,10H2
InChIKeyVVGHPFGJJWCXJI-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.64
Rot. Bonds1

About 4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine

4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine (PubChem CID 67273086) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine.

Molecular Properties

Compound Name4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine
PubChem CID67273086
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine
SMILESBrc1ccc2c(c1)CCC(N1CCOCC1)C2
InChIInChI=1S/C14H18BrNO/c15-13-3-1-12-10-14(4-2-11(12)9-13)16-5-7-17-8-6-16/h1,3,9,14H,2,4-8,10H2
InChIKeyVVGHPFGJJWCXJI-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
The IUPAC name of 4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine (CID 67273086) is 4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine.
What is the SMILES notation for 4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
The canonical SMILES for 4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine is Brc1ccc2c(c1)CCC(N1CCOCC1)C2.
What is the InChIKey of 4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
The InChIKey is VVGHPFGJJWCXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-13-3-1-12-10-14(4-2-11(12)9-13)16-5-7-17-8-6-16/h1,3,9,14H,2,4-8,10H2.
What are the key properties of 4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine has a molecular weight of 296.21 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine is sourced from PubChem (CID 67273086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).