6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C21H27NO — CID 1240

IUPAC6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
InChIKeyDEYFWGXTPWNADC-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.20
Rot. Bonds6

About 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 1240) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID1240
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
InChIKeyDEYFWGXTPWNADC-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 1240) is 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1.
What is the InChIKey of 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is DEYFWGXTPWNADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3.
What are the key properties of 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 309.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 1240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).