5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide

C21H28BrNO — CID 67913400

IUPAC5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
SMILESBr.CCN(CCc1ccccc1)CC1CCCc2cc(O)ccc21
InChIInChI=1S/C21H27NO.BrH/c1-2-22(14-13-17-7-4-3-5-8-17)16-19-10-6-9-18-15-20(23)11-12-21(18)19;/h3-5,7-8,11-12,15,19,23H,2,6,9-10,13-14,16H2,1H3;1H
InChIKeyLFDVPQAAYVOBIW-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.95
Rot. Bonds6

About 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide

5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide (PubChem CID 67913400) has the molecular formula C21H28BrNO and a molecular weight of 390.37 g/mol. Its IUPAC name is 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide.

Molecular Properties

Compound Name5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
PubChem CID67913400
Molecular FormulaC21H28BrNO
Molecular Weight390.37 g/mol
Exact Mass389.14
IUPAC Name5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
SMILESBr.CCN(CCc1ccccc1)CC1CCCc2cc(O)ccc21
InChIInChI=1S/C21H27NO.BrH/c1-2-22(14-13-17-7-4-3-5-8-17)16-19-10-6-9-18-15-20(23)11-12-21(18)19;/h3-5,7-8,11-12,15,19,23H,2,6,9-10,13-14,16H2,1H3;1H
InChIKeyLFDVPQAAYVOBIW-UHFFFAOYSA-N
XLogP4.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The IUPAC name of 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide (CID 67913400) is 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide.
What is the SMILES notation for 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The canonical SMILES for 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide is Br.CCN(CCc1ccccc1)CC1CCCc2cc(O)ccc21.
What is the InChIKey of 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The InChIKey is LFDVPQAAYVOBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.BrH/c1-2-22(14-13-17-7-4-3-5-8-17)16-19-10-6-9-18-15-20(23)11-12-21(18)19;/h3-5,7-8,11-12,15,19,23H,2,6,9-10,13-14,16H2,1H3;1H.
What are the key properties of 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide has a molecular weight of 390.37 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide is sourced from PubChem (CID 67913400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).