2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

C20H25NO2 — CID 18786699

IUPAC2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCNC1CCc2c(ccc(OCc3ccccc3)c2O)C1
InChIInChI=1S/C20H25NO2/c1-2-12-21-17-9-10-18-16(13-17)8-11-19(20(18)22)23-14-15-6-4-3-5-7-15/h3-8,11,17,21-22H,2,9-10,12-14H2,1H3
InChIKeySFYXHHPFFLAERM-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.83
Rot. Bonds6

About 2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 18786699) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID18786699
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCNC1CCc2c(ccc(OCc3ccccc3)c2O)C1
InChIInChI=1S/C20H25NO2/c1-2-12-21-17-9-10-18-16(13-17)8-11-19(20(18)22)23-14-15-6-4-3-5-7-15/h3-8,11,17,21-22H,2,9-10,12-14H2,1H3
InChIKeySFYXHHPFFLAERM-UHFFFAOYSA-N
XLogP3.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 18786699) is 2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is CCCNC1CCc2c(ccc(OCc3ccccc3)c2O)C1.
What is the InChIKey of 2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is SFYXHHPFFLAERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-12-21-17-9-10-18-16(13-17)8-11-19(20(18)22)23-14-15-6-4-3-5-7-15/h3-8,11,17,21-22H,2,9-10,12-14H2,1H3.
What are the key properties of 2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 311.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 18786699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).