(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide

C16H25BrNO- — CID 51371143

IUPAC(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
SMILESCCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1.[Br-]
InChIInChI=1S/C16H25NO.BrH/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15;/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3;1H/p-1/t15-;/m1./s1
InChIKeyODNDMTWHRYECKX-XFULWGLBSA-M
MW327.29 g/mol
LogP0.38
Rot. Bonds5

About (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide

(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide (PubChem CID 51371143) has the molecular formula C16H25BrNO- and a molecular weight of 327.29 g/mol. Its IUPAC name is (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide.

Molecular Properties

Compound Name(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
PubChem CID51371143
Molecular FormulaC16H25BrNO-
Molecular Weight327.29 g/mol
Exact Mass326.11
IUPAC Name(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
SMILESCCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1.[Br-]
InChIInChI=1S/C16H25NO.BrH/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15;/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3;1H/p-1/t15-;/m1./s1
InChIKeyODNDMTWHRYECKX-XFULWGLBSA-M
XLogP0.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide?
The IUPAC name of (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide (CID 51371143) is (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide.
What is the SMILES notation for (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide?
The canonical SMILES for (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide is CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1.[Br-].
What is the InChIKey of (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide?
The InChIKey is ODNDMTWHRYECKX-XFULWGLBSA-M. The full InChI is InChI=1S/C16H25NO.BrH/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15;/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3;1H/p-1/t15-;/m1./s1.
What are the key properties of (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide?
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide has a molecular weight of 327.29 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide is sourced from PubChem (CID 51371143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).