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

C21H27NO — CID 67913401

IUPAC5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(CCc1ccccc1)CC1CCCc2cc(O)ccc21
InChIInChI=1S/C21H27NO/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
InChIKeyRXPZDMYQTGDMCB-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.38
Rot. Bonds6

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

5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 67913401) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID67913401
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(CCc1ccccc1)CC1CCCc2cc(O)ccc21
InChIInChI=1S/C21H27NO/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
InChIKeyRXPZDMYQTGDMCB-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67913400
5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 19882664
5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15029809
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol
CID 15029870
5-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 22998540
5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162650948
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165
5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 57301570
5-[2-[ethyl(propyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917623

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 67913401) is 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCN(CCc1ccccc1)CC1CCCc2cc(O)ccc21.
What is the InChIKey of 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RXPZDMYQTGDMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/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.
What are the key properties of 5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 309.45 g/mol, XLogP of 4.38, 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 is sourced from PubChem (CID 67913401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).