(7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride

C17H28ClNO — CID 73349829

IUPAC(7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
SMILESCCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@H]1C.Cl
InChIInChI=1S/C17H27NO.ClH/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3;/h6-8,13,15,19H,4-5,9-12H2,1-3H3;1H/t13-,15+;/m0./s1
InChIKeyVEIZGNXHIQVBNX-NQQJLSKUSA-N
MW297.87 g/mol
LogP4.35
Rot. Bonds5

About (7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride

(7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride (PubChem CID 73349829) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is (7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name(7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
PubChem CID73349829
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name(7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
SMILESCCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@H]1C.Cl
InChIInChI=1S/C17H27NO.ClH/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3;/h6-8,13,15,19H,4-5,9-12H2,1-3H3;1H/t13-,15+;/m0./s1
InChIKeyVEIZGNXHIQVBNX-NQQJLSKUSA-N
XLogP4.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 18366451
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
(5R,6S)-6-[2-(3-hydroxyphenyl)ethyl-propylamino]-5-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
CID 18635429
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
(1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57286470
(5R,6S)-6-[2-(3-hydroxyphenyl)ethyl-propylamino]-5-methyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 18635430
1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19379897
bis[2-(dipropylamino)-8-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl] oxalate
CID 67721624
7-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 71748988
[6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] 4-(2,2-dimethylpropanoyloxy)benzoate;hydrochloride
CID 67822825
(3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 10594038
[6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
CID 56999318

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The IUPAC name of (7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride (CID 73349829) is (7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride.
What is the SMILES notation for (7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The canonical SMILES for (7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride is CCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@H]1C.Cl.
What is the InChIKey of (7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The InChIKey is VEIZGNXHIQVBNX-NQQJLSKUSA-N. The full InChI is InChI=1S/C17H27NO.ClH/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3;/h6-8,13,15,19H,4-5,9-12H2,1-3H3;1H/t13-,15+;/m0./s1.
What are the key properties of (7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
(7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride is sourced from PubChem (CID 73349829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).