5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide

C20H26BrNO — CID 67867674

IUPAC5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
SMILESBr.CNCC(CC1CCCc2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C20H25NO.BrH/c1-21-14-18(15-6-3-2-4-7-15)12-16-8-5-9-17-13-19(22)10-11-20(16)17;/h2-4,6-7,10-11,13,16,18,21-22H,5,8-9,12,14H2,1H3;1H
InChIKeyMBWZTZOQEXWOHP-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.78
Rot. Bonds5

About 5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide

5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide (PubChem CID 67867674) has the molecular formula C20H26BrNO and a molecular weight of 376.34 g/mol. Its IUPAC name is 5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide.

Molecular Properties

Compound Name5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
PubChem CID67867674
Molecular FormulaC20H26BrNO
Molecular Weight376.34 g/mol
Exact Mass375.12
IUPAC Name5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
SMILESBr.CNCC(CC1CCCc2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C20H25NO.BrH/c1-21-14-18(15-6-3-2-4-7-15)12-16-8-5-9-17-13-19(22)10-11-20(16)17;/h2-4,6-7,10-11,13,16,18,21-22H,5,8-9,12,14H2,1H3;1H
InChIKeyMBWZTZOQEXWOHP-UHFFFAOYSA-N
XLogP4.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 57301570
3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline
CID 57291928
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
CID 71369533
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
5-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 22998540
2-(furan-2-yl)-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylpropan-1-amine
CID 57256768
5-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105471653
3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine
CID 79225975
1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol
CID 107681875
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67913400

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The IUPAC name of 5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide (CID 67867674) is 5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide.
What is the SMILES notation for 5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The canonical SMILES for 5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide is Br.CNCC(CC1CCCc2cc(O)ccc21)c1ccccc1.
What is the InChIKey of 5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The InChIKey is MBWZTZOQEXWOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.BrH/c1-21-14-18(15-6-3-2-4-7-15)12-16-8-5-9-17-13-19(22)10-11-20(16)17;/h2-4,6-7,10-11,13,16,18,21-22H,5,8-9,12,14H2,1H3;1H.
What are the key properties of 5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide has a molecular weight of 376.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide is sourced from PubChem (CID 67867674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).